Program PHONON v.6.5 starts on 19Mar2020 at 21:11:48 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     4 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       4
     Fft bands division:     nmany     =       1

     Reading xml data from directory:

     /home/giannozz/q-e-mio/tempdir/platinum.save/
     Message from routine qexsd_readschema :
     input info not found or not readable in xml file

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     18                 1712      556     102
     Max         119      56     19                 1715      558     104
     Sum         475     223     73                 6855     2229     411
 

     Check: negative core charge=   -0.000004
     Reading collected, re-writing distributed wavefunctions


     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
     (   8 q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.000000000   0.500000000   0.000000000
       5   0.750000000  -0.250000000   0.750000000
       6   0.500000000   0.000000000   0.500000000
       7   0.000000000  -1.000000000   0.000000000
       8  -0.500000000  -1.000000000   0.000000000

     Calculation of q =    0.0000000   0.0000000   0.0000000

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
     49 Sym.Ops. (with q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=     2  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, O_h (m-3m)  point group:


     Atomic displacements:
     There are   1 irreducible representations

     Representation     1      3 modes -T_1u G_15  G_4-  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :      0.56s CPU      0.57s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     4.1359E-25    -7.8366E-38
     Pert. #  2: Fermi energy shift (Ry) =     3.1019E-25    -1.2539E-37
     Pert. #  3: Fermi energy shift (Ry) =    -4.1359E-25    -1.9592E-37

      iter #   1 total cpu time :     0.8 secs   av.it.:   6.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.745E-07
 
     Pert. #  1: Fermi energy shift (Ry) =    -6.8932E-25     7.3468E-40
     Pert. #  2: Fermi energy shift (Ry) =    -2.4126E-25     3.6734E-40
     Pert. #  3: Fermi energy shift (Ry) =    -3.7912E-25    -2.7551E-39

      iter #   2 total cpu time :     1.1 secs   av.it.:  12.3
      thresh= 7.580E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.682E-08
 
     Pert. #  1: Fermi energy shift (Ry) =     1.3786E-25     7.3468E-40
     Pert. #  2: Fermi energy shift (Ry) =     5.1699E-25     6.1224E-40
     Pert. #  3: Fermi energy shift (Ry) =    -6.8932E-25     1.1632E-39

      iter #   3 total cpu time :     1.3 secs   av.it.:  11.3
      thresh= 1.297E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.466E-10
 
     Pert. #  1: Fermi energy shift (Ry) =     4.1359E-25    -3.6734E-40
     Pert. #  2: Fermi energy shift (Ry) =    -3.7912E-25     9.1835E-41
     Pert. #  3: Fermi energy shift (Ry) =    -4.4806E-25     1.4541E-40

      iter #   4 total cpu time :     1.6 secs   av.it.:  10.2
      thresh= 2.543E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.836E-13
 
     Pert. #  1: Fermi energy shift (Ry) =    -2.7573E-25    -1.5306E-40
     Pert. #  2: Fermi energy shift (Ry) =     3.1019E-25    -3.0612E-40
     Pert. #  3: Fermi energy shift (Ry) =     5.1699E-25     0.0000E+00

      iter #   5 total cpu time :     1.8 secs   av.it.:  11.5
      thresh= 4.285E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.768E-15
 
     Pert. #  1: Fermi energy shift (Ry) =     6.8932E-25    -1.5306E-40
     Pert. #  2: Fermi energy shift (Ry) =     1.3786E-25    -3.0612E-40
     Pert. #  3: Fermi energy shift (Ry) =    -2.7573E-25     0.0000E+00

      iter #   6 total cpu time :     2.0 secs   av.it.:  10.3
      thresh= 5.261E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.184E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.178889 [THz] =       5.967080 [cm-1]
     freq (    2) =       0.178889 [THz] =       5.967080 [cm-1]
     freq (    3) =       0.178889 [THz] =       5.967080 [cm-1]
 **************************************************************************

     Mode symmetry, O_h (m-3m)  point group:

     freq (  1 -  3) =          6.0  [cm-1]   --> T_1u G_15  G_4- I  

     Calculation of q =   -0.2500000   0.2500000  -0.2500000

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     132
     Max         119      56     22                 1715      558     135
     Sum         475     223     85                 6855     2229     531
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    20  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.0937500
        k(    2) = (  -0.5000000   0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.0937500
        k(    4) = (   0.0000000   0.0000000   0.5000000), wk =   0.0000000
        k(    5) = (   0.2500000   0.2500000   0.2500000), wk =   0.0937500
        k(    6) = (   0.0000000   0.5000000   0.0000000), wk =   0.0000000
        k(    7) = (   0.2500000  -0.2500000   0.2500000), wk =   0.0312500
        k(    8) = (   0.0000000   0.0000000   0.0000000), wk =   0.0000000
        k(    9) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0312500
        k(   10) = (  -0.5000000   0.5000000  -0.5000000), wk =   0.0000000
        k(   11) = (  -0.2500000   0.7500000   0.2500000), wk =   0.1875000
        k(   12) = (  -0.5000000   1.0000000   0.0000000), wk =   0.0000000
        k(   13) = (  -0.2500000   0.7500000  -0.2500000), wk =   0.0937500
        k(   14) = (  -0.5000000   1.0000000  -0.5000000), wk =   0.0000000
        k(   15) = (  -0.2500000   0.2500000   0.7500000), wk =   0.0937500
        k(   16) = (  -0.5000000   0.5000000   0.5000000), wk =   0.0000000
        k(   17) = (   0.7500000   0.2500000   0.2500000), wk =   0.1875000
        k(   18) = (   0.5000000   0.5000000   0.0000000), wk =   0.0000000
        k(   19) = (   0.2500000  -0.2500000  -0.7500000), wk =   0.0937500
        k(   20) = (   0.0000000   0.0000000  -1.0000000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.24 MB

     Estimated total dynamical RAM >      48.97 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.4

     total cpu time spent up to now is        0.9 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.5000 0.5000 0.0000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.0000 0.0000 0.5000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

          k = 0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.0000 0.5000 0.0000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

          k = 0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.0000 0.0000 0.0000 (   283 PWs)   bands (ev):

     7.2727   7.2727  13.3946  13.3946  13.3946  13.3946  14.3825  14.3825
    16.2214  16.2214  16.2214  16.2214  34.8330  34.8330  38.3520  38.3520
    39.6350  39.6350

          k =-0.2500 0.2500-0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.5000 0.5000-0.5000 (   272 PWs)   bands (ev):

    10.2248  10.2248  13.2340  13.2340  14.2435  14.2435  16.8898  16.8898
    17.4171  17.4171  18.0789  18.0789  23.4362  23.4362  33.8541  33.8541
    36.9667  36.9667

          k =-0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.5000 1.0000 0.0000 (   280 PWs)   bands (ev):

    11.8705  11.8705  12.8375  12.8375  13.0920  13.0920  15.7990  15.7990
    18.2074  18.2074  24.7578  24.7578  25.1486  25.1486  26.5186  26.5186
    29.7304  29.7304

          k =-0.2500 0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.5000 1.0000-0.5000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.5000 0.5000 0.5000 (   272 PWs)   bands (ev):

    10.2248  10.2248  13.2340  13.2340  14.2435  14.2435  16.8898  16.8898
    17.4171  17.4171  18.0789  18.0789  23.4362  23.4362  33.8541  33.8541
    36.9667  36.9667

          k = 0.7500 0.2500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000 0.5000 0.0000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k = 0.2500-0.2500-0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.0000 0.0000-1.0000 (   286 PWs)   bands (ev):

    10.4903  10.4903  10.9472  10.9472  17.4906  17.4906  17.8002  17.8002
    18.7797  18.7797  19.1008  19.1008  26.3323  26.3323  28.7371  28.7371
    30.2769  30.2769

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000  -0.2500000 )
 
      6 Sym.Ops. (no q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=    20  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :      3.29s CPU      3.45s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     3.7 secs   av.it.:   8.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.689E-01

      iter #   2 total cpu time :     3.9 secs   av.it.:  11.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.427E+02

      iter #   3 total cpu time :     4.1 secs   av.it.:  11.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.890E-02

      iter #   4 total cpu time :     4.3 secs   av.it.:   7.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.599E-02

      iter #   5 total cpu time :     4.5 secs   av.it.:   7.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.019E-04

      iter #   6 total cpu time :     4.7 secs   av.it.:   6.4
      thresh= 1.738E-03 alpha_mix =  0.700 |ddv_scf|^2 =  5.833E-07

      iter #   7 total cpu time :     4.8 secs   av.it.:   7.2
      thresh= 7.638E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.345E-06

      iter #   8 total cpu time :     5.0 secs   av.it.:   5.9
      thresh= 2.312E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.904E-09

      iter #   9 total cpu time :     5.2 secs   av.it.:   7.0
      thresh= 8.309E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.120E-11

      iter #  10 total cpu time :     5.3 secs   av.it.:   7.8
      thresh= 9.011E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.477E-11

      iter #  11 total cpu time :     5.6 secs   av.it.:   6.5
      thresh= 7.401E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.609E-13

      iter #  12 total cpu time :     5.8 secs   av.it.:   7.2
      thresh= 6.008E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.519E-13

      iter #  13 total cpu time :     6.0 secs   av.it.:   6.3
      thresh= 3.897E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.584E-15

      iter #  14 total cpu time :     6.1 secs   av.it.:   7.0
      thresh= 3.980E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.387E-16

      iter #  15 total cpu time :     6.3 secs   av.it.:   6.6
      thresh= 2.321E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.347E-18

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     6.8 secs   av.it.:   6.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.790E-06

      iter #   2 total cpu time :     7.3 secs   av.it.:  10.9
      thresh= 1.338E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.946E-08

      iter #   3 total cpu time :     7.7 secs   av.it.:  10.5
      thresh= 2.636E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.863E-09

      iter #   4 total cpu time :     8.1 secs   av.it.:  10.3
      thresh= 4.316E-06 alpha_mix =  0.700 |ddv_scf|^2 =  8.509E-11

      iter #   5 total cpu time :     8.6 secs   av.it.:  10.5
      thresh= 9.224E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.864E-13

      iter #   6 total cpu time :     9.1 secs   av.it.:  10.4
      thresh= 4.317E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.828E-15

      iter #   7 total cpu time :     9.5 secs   av.it.:  10.3
      thresh= 5.318E-09 alpha_mix =  0.700 |ddv_scf|^2 =  7.288E-17

      iter #   8 total cpu time :    10.0 secs   av.it.:  10.2
      thresh= 8.537E-10 alpha_mix =  0.700 |ddv_scf|^2 =  2.084E-18

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    8
     List of q in the star:
          1  -0.250000000   0.250000000  -0.250000000
          2   0.250000000  -0.250000000  -0.250000000
          3   0.250000000  -0.250000000   0.250000000
          4   0.250000000   0.250000000   0.250000000
          5  -0.250000000  -0.250000000  -0.250000000
          6  -0.250000000  -0.250000000   0.250000000
          7  -0.250000000   0.250000000   0.250000000
          8   0.250000000   0.250000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (   -0.250000000   0.250000000  -0.250000000 ) 

 **************************************************************************
     freq (    1) =       2.294374 [THz] =      76.532090 [cm-1]
     freq (    2) =       2.294374 [THz] =      76.532090 [cm-1]
     freq (    3) =       4.560518 [THz] =     152.122522 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =         76.5  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        152.1  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.5000000  -0.5000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     133
     Max         119      56     22                 1715      558     136
     Sum         475     223     85                 6855     2229     537
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    10  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.1875000
        k(    2) = (   0.2500000  -0.2500000   0.7500000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.1875000
        k(    4) = (   0.7500000  -0.7500000   1.2500000), wk =   0.0000000
        k(    5) = (   0.2500000  -0.2500000   0.2500000), wk =   0.0625000
        k(    6) = (   0.7500000  -0.7500000   0.7500000), wk =   0.0000000
        k(    7) = (   0.2500000   0.2500000   0.7500000), wk =   0.3750000
        k(    8) = (   0.7500000  -0.2500000   1.2500000), wk =   0.0000000
        k(    9) = (   0.7500000   0.2500000  -0.2500000), wk =   0.1875000
        k(   10) = (   1.2500000  -0.2500000   0.2500000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.27 MB

     Estimated total dynamical RAM >      49.09 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.6

     total cpu time spent up to now is        1.4 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.7500-0.7500 1.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.7500-0.7500 0.7500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.7500-0.2500 1.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.7500 0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.2500-0.2500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000  -0.5000000   0.5000000 )
 
     13 Sym.Ops. (with q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=    10  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, D_3d (-3m)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u L_2'  To be done

     Representation     2      2 modes -E_u  L_3'  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     10.12s CPU     10.94s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    11.1 secs   av.it.:   8.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.240E-03

      iter #   2 total cpu time :    11.2 secs   av.it.:   9.8
      thresh= 3.522E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.517E-03

      iter #   3 total cpu time :    11.4 secs   av.it.:   9.0
      thresh= 5.017E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.884E-08

      iter #   4 total cpu time :    11.5 secs   av.it.:  10.4
      thresh= 1.698E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.874E-10

      iter #   5 total cpu time :    11.7 secs   av.it.:   9.6
      thresh= 2.806E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.922E-11

      iter #   6 total cpu time :    11.8 secs   av.it.:   9.0
      thresh= 4.384E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.128E-13

      iter #   7 total cpu time :    11.9 secs   av.it.:   9.6
      thresh= 3.359E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.350E-15

      iter #   8 total cpu time :    12.0 secs   av.it.:   9.0
      thresh= 4.848E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.366E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    12.3 secs   av.it.:   7.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.254E-06

      iter #   2 total cpu time :    12.6 secs   av.it.:  11.8
      thresh= 1.501E-04 alpha_mix =  0.700 |ddv_scf|^2 =  9.858E-08

      iter #   3 total cpu time :    12.9 secs   av.it.:  11.5
      thresh= 3.140E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.741E-09

      iter #   4 total cpu time :    13.2 secs   av.it.:  10.3
      thresh= 4.172E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.334E-12

      iter #   5 total cpu time :    13.5 secs   av.it.:  11.6
      thresh= 1.155E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.583E-15

      iter #   6 total cpu time :    13.8 secs   av.it.:  10.2
      thresh= 9.789E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.091E-16

      iter #   7 total cpu time :    14.1 secs   av.it.:  10.5
      thresh= 1.758E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.754E-19

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    4
     List of q in the star:
          1   0.500000000  -0.500000000   0.500000000
          2   0.500000000   0.500000000   0.500000000
          3  -0.500000000   0.500000000   0.500000000
          4   0.500000000   0.500000000  -0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000  -0.500000000   0.500000000 ) 

 **************************************************************************
     freq (    1) =       2.699668 [THz] =      90.051225 [cm-1]
     freq (    2) =       2.699668 [THz] =      90.051225 [cm-1]
     freq (    3) =       6.043301 [THz] =     201.582832 [cm-1]
 **************************************************************************

     Mode symmetry, D_3d (-3m)  point group:

     freq (  1 -  2) =         90.1  [cm-1]   --> E_u  L_3'          
     freq (  3 -  3) =        201.6  [cm-1]   --> A_2u L_2'          

     Calculation of q =    0.0000000   0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     132
     Max         119      56     22                 1715      558     135
     Sum         475     223     85                 6855     2229     531
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    12  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.1250000
        k(    2) = (  -0.2500000   0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.2500000
        k(    4) = (   0.2500000   0.2500000   0.7500000), wk =   0.0000000
        k(    5) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.1250000
        k(    6) = (  -0.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    7) = (  -0.7500000   0.2500000  -0.2500000), wk =   0.2500000
        k(    8) = (  -0.7500000   0.7500000  -0.2500000), wk =   0.0000000
        k(    9) = (  -0.2500000   0.7500000  -0.2500000), wk =   0.1250000
        k(   10) = (  -0.2500000   1.2500000  -0.2500000), wk =   0.0000000
        k(   11) = (  -0.2500000  -0.7500000  -0.2500000), wk =   0.1250000
        k(   12) = (  -0.2500000  -0.2500000  -0.2500000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.25 MB

     Estimated total dynamical RAM >      48.99 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.3

     total cpu time spent up to now is        2.0 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.7500 0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.7500 0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 1.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.2500-0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.5000000   0.0000000 )
 
      8 Sym.Ops. (no q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=    12  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     14.04s CPU     15.11s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    15.3 secs   av.it.:   9.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.103E-01

      iter #   2 total cpu time :    15.5 secs   av.it.:  12.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.606E+01

      iter #   3 total cpu time :    15.6 secs   av.it.:  12.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.667E-02

      iter #   4 total cpu time :    15.8 secs   av.it.:   8.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.212E-02

      iter #   5 total cpu time :    15.9 secs   av.it.:   7.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.353E-06

      iter #   6 total cpu time :    16.0 secs   av.it.:   7.8
      thresh= 2.521E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.445E-09

      iter #   7 total cpu time :    16.2 secs   av.it.:   9.2
      thresh= 8.628E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.958E-08

      iter #   8 total cpu time :    16.3 secs   av.it.:   7.3
      thresh= 1.399E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.377E-09

      iter #   9 total cpu time :    16.4 secs   av.it.:   7.5
      thresh= 9.152E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.908E-11

      iter #  10 total cpu time :    16.6 secs   av.it.:   7.3
      thresh= 8.311E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.090E-12

      iter #  11 total cpu time :    16.7 secs   av.it.:   7.8
      thresh= 1.044E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.176E-14

      iter #  12 total cpu time :    16.9 secs   av.it.:   8.0
      thresh= 2.044E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.209E-14

      iter #  13 total cpu time :    17.0 secs   av.it.:   7.0
      thresh= 1.099E-08 alpha_mix =  0.700 |ddv_scf|^2 =  3.603E-15

      iter #  14 total cpu time :    17.1 secs   av.it.:   7.7
      thresh= 6.002E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.044E-16

      iter #  15 total cpu time :    17.3 secs   av.it.:   7.8
      thresh= 1.430E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.764E-18

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    17.6 secs   av.it.:   7.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.873E-06

      iter #   2 total cpu time :    17.9 secs   av.it.:  12.1
      thresh= 1.968E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.934E-07

      iter #   3 total cpu time :    18.3 secs   av.it.:  11.3
      thresh= 5.417E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.052E-09

      iter #   4 total cpu time :    18.6 secs   av.it.:  10.8
      thresh= 4.530E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.370E-12

      iter #   5 total cpu time :    19.0 secs   av.it.:  11.4
      thresh= 1.836E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.522E-13

      iter #   6 total cpu time :    19.3 secs   av.it.:  11.5
      thresh= 3.901E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.025E-16

      iter #   7 total cpu time :    19.6 secs   av.it.:  10.8
      thresh= 2.650E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.608E-17

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    6
     List of q in the star:
          1   0.000000000   0.500000000   0.000000000
          2   0.000000000  -0.500000000   0.000000000
          3   0.500000000   0.000000000   0.000000000
          4   0.000000000   0.000000000   0.500000000
          5   0.000000000   0.000000000  -0.500000000
          6  -0.500000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       2.781800 [THz] =      92.790863 [cm-1]
     freq (    2) =       2.781800 [THz] =      92.790863 [cm-1]
     freq (    3) =       4.119507 [THz] =     137.411975 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =         92.8  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        137.4  [cm-1]   --> A_1  G_1 D_1       

     Calculation of q =    0.7500000  -0.2500000   0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     22                 1712      556     152
     Max         119      56     23                 1715      558     153
     Sum         475     223     91                 6855     2229     609
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    40  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.0625000
        k(    2) = (   0.5000000   0.0000000   1.0000000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.0625000
        k(    4) = (   1.0000000  -0.5000000   1.5000000), wk =   0.0000000
        k(    5) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0312500
        k(    6) = (   0.5000000   0.0000000   0.5000000), wk =   0.0000000
        k(    7) = (   0.2500000   0.2500000   0.2500000), wk =   0.0312500
        k(    8) = (   1.0000000   0.0000000   1.0000000), wk =   0.0000000
        k(    9) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.0625000
        k(   10) = (   0.5000000  -0.5000000   1.0000000), wk =   0.0000000
        k(   11) = (  -0.2500000  -0.2500000  -0.2500000), wk =   0.0312500
        k(   12) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0000000
        k(   13) = (   0.2500000  -0.2500000   0.2500000), wk =   0.0312500
        k(   14) = (   1.0000000  -0.5000000   1.0000000), wk =   0.0000000
        k(   15) = (   0.2500000  -0.2500000  -0.7500000), wk =   0.0625000
        k(   16) = (   1.0000000  -0.5000000   0.0000000), wk =   0.0000000
        k(   17) = (  -0.2500000  -0.2500000  -0.7500000), wk =   0.0625000
        k(   18) = (   0.5000000  -0.5000000   0.0000000), wk =   0.0000000
        k(   19) = (  -0.2500000  -0.2500000   0.7500000), wk =   0.0625000
        k(   20) = (   0.5000000  -0.5000000   1.5000000), wk =   0.0000000
        k(   21) = (  -0.7500000   0.2500000  -0.2500000), wk =   0.0625000
        k(   22) = (   0.0000000   0.0000000   0.5000000), wk =   0.0000000
        k(   23) = (  -0.2500000   0.7500000  -0.2500000), wk =   0.0312500
        k(   24) = (   0.5000000   0.5000000   0.5000000), wk =   0.0000000
        k(   25) = (   0.2500000   0.2500000   0.7500000), wk =   0.0625000
        k(   26) = (   1.0000000   0.0000000   1.5000000), wk =   0.0000000
        k(   27) = (  -0.7500000   0.2500000   0.2500000), wk =   0.0625000
        k(   28) = (   0.0000000   0.0000000   1.0000000), wk =   0.0000000
        k(   29) = (   0.7500000   0.2500000  -0.2500000), wk =   0.0625000
        k(   30) = (   1.5000000   0.0000000   0.5000000), wk =   0.0000000
        k(   31) = (  -0.2500000   0.7500000   0.2500000), wk =   0.0625000
        k(   32) = (   0.5000000   0.5000000   1.0000000), wk =   0.0000000
        k(   33) = (  -0.2500000  -0.7500000  -0.2500000), wk =   0.0312500
        k(   34) = (   0.5000000  -1.0000000   0.5000000), wk =   0.0000000
        k(   35) = (  -0.2500000  -0.7500000   0.2500000), wk =   0.0625000
        k(   36) = (   0.5000000  -1.0000000   1.0000000), wk =   0.0000000
        k(   37) = (   0.2500000  -0.7500000   0.2500000), wk =   0.0312500
        k(   38) = (   1.0000000  -1.0000000   1.0000000), wk =   0.0000000
        k(   39) = (   0.2500000   0.7500000   0.2500000), wk =   0.0312500
        k(   40) = (   1.0000000   0.5000000   1.0000000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.29 MB

     Estimated total dynamical RAM >      49.15 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.1

     total cpu time spent up to now is        3.7 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.5000 0.0000 1.0000 (   280 PWs)   bands (ev):

    11.8705  11.8705  12.8375  12.8375  13.0920  13.0920  15.7990  15.7990
    18.2074  18.2074  24.7578  24.7578  25.1486  25.1486  26.5186  26.5186
    29.7304  29.7304

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.0000-0.5000 1.5000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500 0.2500-0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.5000 0.0000 0.5000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k = 0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 1.0000 0.0000 1.0000 (   286 PWs)   bands (ev):

    10.4903  10.4903  10.9472  10.9472  17.4906  17.4906  17.8002  17.8002
    18.7797  18.7797  19.1008  19.1008  26.3323  26.3323  28.7371  28.7371
    30.2769  30.2769

          k =-0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.5000-0.5000 1.0000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500-0.2500-0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.5000-0.5000 0.5000 (   272 PWs)   bands (ev):

    10.2248  10.2248  13.2340  13.2340  14.2435  14.2435  16.8898  16.8898
    17.4171  17.4171  18.0789  18.0789  23.4362  23.4362  33.8541  33.8541
    36.9667  36.9667

          k = 0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 1.0000-0.5000 1.0000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

          k = 0.2500-0.2500-0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.0000-0.5000 0.0000 (   280 PWs)   bands (ev):

    11.8705  11.8705  12.8375  12.8375  13.0920  13.0920  15.7990  15.7990
    18.2074  18.2074  24.7578  24.7578  25.1486  25.1486  26.5186  26.5186
    29.7304  29.7304

          k =-0.2500-0.2500-0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000-0.5000 0.0000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000-0.5000 1.5000 (   272 PWs)   bands (ev):

    10.2248  10.2248  13.2340  13.2340  14.2435  14.2435  16.8898  16.8898
    17.4171  17.4171  18.0789  18.0789  23.4362  23.4362  33.8541  33.8541
    36.9667  36.9667

          k =-0.7500 0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.0000 0.0000 0.5000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

          k =-0.2500 0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000 0.5000 0.5000 (   272 PWs)   bands (ev):

    10.2248  10.2248  13.2340  13.2340  14.2435  14.2435  16.8898  16.8898
    17.4171  17.4171  18.0789  18.0789  23.4362  23.4362  33.8541  33.8541
    36.9667  36.9667

          k = 0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.0000 0.0000 1.5000 (   280 PWs)   bands (ev):

    11.8705  11.8705  12.8375  12.8375  13.0920  13.0920  15.7990  15.7990
    18.2074  18.2074  24.7578  24.7578  25.1486  25.1486  26.5186  26.5186
    29.7304  29.7304

          k =-0.7500 0.2500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.0000 0.0000 1.0000 (   286 PWs)   bands (ev):

    10.4903  10.4903  10.9472  10.9472  17.4906  17.4906  17.8002  17.8002
    18.7797  18.7797  19.1008  19.1008  26.3323  26.3323  28.7371  28.7371
    30.2769  30.2769

          k = 0.7500 0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.5000 0.0000 0.5000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000 0.5000 1.0000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500-0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000-1.0000 0.5000 (   283 PWs)   bands (ev):

    11.6660  11.6660  12.8195  12.8195  13.2912  13.2912  15.1036  15.1036
    16.1317  16.1317  19.5736  19.5736  28.3422  28.3422  30.4772  30.4772
    36.8897  36.8897

          k =-0.2500-0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.5000-1.0000 1.0000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

          k = 0.2500-0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.0000-1.0000 1.0000 (   283 PWs)   bands (ev):

     7.2727   7.2727  13.3946  13.3946  13.3946  13.3946  14.3825  14.3825
    16.2214  16.2214  16.2214  16.2214  34.8330  34.8330  38.3520  38.3520
    39.6350  39.6350

          k = 0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 1.0000 0.5000 1.0000 (   290 PWs)   bands (ev):

    10.0187  10.0187  12.1665  12.1665  14.1806  14.1806  15.6749  15.6749
    15.7566  15.7566  17.0173  17.0173  33.8083  33.8083  35.8441  35.8441
    36.2252  36.2252

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.7500000  -0.2500000   0.7500000 )
 
      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=    40  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     20.81s CPU     22.24s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    22.7 secs   av.it.:   8.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.271E-03

      iter #   2 total cpu time :    23.2 secs   av.it.:  10.3
      thresh= 3.565E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.189E-02

      iter #   3 total cpu time :    23.6 secs   av.it.:   9.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.728E-03

      iter #   4 total cpu time :    24.0 secs   av.it.:   8.8
      thresh= 4.157E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.986E-07

      iter #   5 total cpu time :    24.4 secs   av.it.:   9.2
      thresh= 8.936E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.481E-08

      iter #   6 total cpu time :    24.8 secs   av.it.:   9.2
      thresh= 1.866E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.396E-09

      iter #   7 total cpu time :    25.2 secs   av.it.:   9.2
      thresh= 3.736E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.962E-11

      iter #   8 total cpu time :    25.6 secs   av.it.:   9.9
      thresh= 4.429E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.306E-10

      iter #   9 total cpu time :    26.0 secs   av.it.:   8.3
      thresh= 1.143E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.505E-12

      iter #  10 total cpu time :    26.5 secs   av.it.:   9.4
      thresh= 1.583E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.072E-13

      iter #  11 total cpu time :    26.9 secs   av.it.:   8.8
      thresh= 8.984E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.932E-15

      iter #  12 total cpu time :    27.3 secs   av.it.:   9.6
      thresh= 8.906E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.739E-15

      iter #  13 total cpu time :    27.7 secs   av.it.:   9.6
      thresh= 5.234E-09 alpha_mix =  0.700 |ddv_scf|^2 =  4.502E-15

      iter #  14 total cpu time :    28.0 secs   av.it.:   8.8
      thresh= 6.710E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.968E-16

      iter #  15 total cpu time :    28.5 secs   av.it.:   8.9
      thresh= 1.403E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.292E-16

      iter #  16 total cpu time :    28.9 secs   av.it.:   8.7
      thresh= 1.137E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.967E-19

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    29.3 secs   av.it.:   7.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.770E-04

      iter #   2 total cpu time :    29.8 secs   av.it.:  10.2
      thresh= 1.942E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.150E-03

      iter #   3 total cpu time :    30.2 secs   av.it.:   8.2
      thresh= 9.566E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.030E-04

      iter #   4 total cpu time :    30.6 secs   av.it.:   8.9
      thresh= 1.425E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.707E-06

      iter #   5 total cpu time :    31.0 secs   av.it.:   9.2
      thresh= 1.306E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.458E-08

      iter #   6 total cpu time :    31.4 secs   av.it.:   9.3
      thresh= 1.859E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.843E-10

      iter #   7 total cpu time :    31.8 secs   av.it.:  10.1
      thresh= 1.686E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.132E-10

      iter #   8 total cpu time :    32.2 secs   av.it.:  10.1
      thresh= 1.064E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.924E-10

      iter #   9 total cpu time :    32.6 secs   av.it.:   8.2
      thresh= 3.150E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.919E-12

      iter #  10 total cpu time :    33.0 secs   av.it.:  10.1
      thresh= 2.218E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.659E-11

      iter #  11 total cpu time :    33.4 secs   av.it.:   8.2
      thresh= 7.523E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.581E-14

      iter #  12 total cpu time :    33.9 secs   av.it.:  10.1
      thresh= 1.607E-08 alpha_mix =  0.700 |ddv_scf|^2 =  9.909E-15

      iter #  13 total cpu time :    34.3 secs   av.it.:   9.2
      thresh= 9.954E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.735E-16

      iter #  14 total cpu time :    34.7 secs   av.it.:   9.9
      thresh= 1.933E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.520E-16

      iter #  15 total cpu time :    35.1 secs   av.it.:   9.4
      thresh= 2.350E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.750E-15

      iter #  16 total cpu time :    35.5 secs   av.it.:   8.2
      thresh= 4.184E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.292E-17

      iter #  17 total cpu time :    35.9 secs   av.it.:   8.6
      thresh= 9.106E-10 alpha_mix =  0.700 |ddv_scf|^2 =  6.919E-18

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    36.2 secs   av.it.:   7.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.838E-05

      iter #   2 total cpu time :    36.7 secs   av.it.:  10.1
      thresh= 4.288E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.568E-06

      iter #   3 total cpu time :    37.1 secs   av.it.:   9.8
      thresh= 1.252E-04 alpha_mix =  0.700 |ddv_scf|^2 =  8.831E-09

      iter #   4 total cpu time :    37.5 secs   av.it.:   9.3
      thresh= 9.397E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.992E-11

      iter #   5 total cpu time :    38.0 secs   av.it.:  10.1
      thresh= 6.318E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.097E-12

      iter #   6 total cpu time :    38.4 secs   av.it.:   9.8
      thresh= 1.047E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.650E-15

      iter #   7 total cpu time :    38.8 secs   av.it.:   9.3
      thresh= 6.819E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.854E-16

      iter #   8 total cpu time :    39.3 secs   av.it.:   9.6
      thresh= 1.689E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.462E-19

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =   24
     List of q in the star:
          1   0.750000000  -0.250000000   0.750000000
          2   0.750000000  -0.250000000  -0.750000000
          3  -0.750000000  -0.250000000  -0.750000000
          4  -0.750000000  -0.250000000   0.750000000
          5  -0.750000000   0.250000000  -0.750000000
          6  -0.250000000   0.750000000  -0.750000000
          7  -0.750000000   0.750000000  -0.250000000
          8   0.750000000   0.250000000   0.750000000
          9  -0.750000000   0.250000000   0.750000000
         10   0.750000000   0.250000000  -0.750000000
         11  -0.750000000   0.750000000   0.250000000
         12  -0.250000000   0.750000000   0.750000000
         13   0.250000000   0.750000000  -0.750000000
         14  -0.250000000  -0.750000000  -0.750000000
         15   0.750000000   0.750000000  -0.250000000
         16   0.750000000  -0.750000000   0.250000000
         17  -0.750000000  -0.750000000  -0.250000000
         18   0.250000000  -0.750000000   0.750000000
         19  -0.750000000  -0.750000000   0.250000000
         20   0.250000000   0.750000000   0.750000000
         21  -0.250000000  -0.750000000   0.750000000
         22   0.750000000   0.750000000   0.250000000
         23   0.250000000  -0.750000000  -0.750000000
         24   0.750000000  -0.750000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.750000000  -0.250000000   0.750000000 ) 

 **************************************************************************
     freq (    1) =       3.513283 [THz] =     117.190506 [cm-1]
     freq (    2) =       4.155681 [THz] =     138.618586 [cm-1]
     freq (    3) =       5.871175 [THz] =     195.841313 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        117.2  [cm-1]   --> A''                
     freq (  2 -  2) =        138.6  [cm-1]   --> A'                 
     freq (  3 -  3) =        195.8  [cm-1]   --> A'                 

     Calculation of q =    0.5000000   0.0000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     132
     Max         119      56     22                 1715      558     135
     Sum         475     223     85                 6855     2229     531
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=    20  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.1250000
        k(    2) = (   0.2500000   0.2500000   0.7500000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.1250000
        k(    4) = (   0.7500000  -0.2500000   1.2500000), wk =   0.0000000
        k(    5) = (   0.2500000   0.2500000   0.2500000), wk =   0.0625000
        k(    6) = (   0.7500000   0.2500000   0.7500000), wk =   0.0000000
        k(    7) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0625000
        k(    8) = (   0.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    9) = (  -0.2500000  -0.2500000   0.7500000), wk =   0.1250000
        k(   10) = (   0.2500000  -0.2500000   1.2500000), wk =   0.0000000
        k(   11) = (  -0.7500000  -0.2500000  -0.2500000), wk =   0.1250000
        k(   12) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.0000000
        k(   13) = (  -0.7500000  -0.2500000   0.2500000), wk =   0.1250000
        k(   14) = (  -0.2500000  -0.2500000   0.7500000), wk =   0.0000000
        k(   15) = (  -0.2500000   0.7500000  -0.2500000), wk =   0.0625000
        k(   16) = (   0.2500000   0.7500000   0.2500000), wk =   0.0000000
        k(   17) = (  -0.2500000   0.7500000   0.2500000), wk =   0.1250000
        k(   18) = (   0.2500000   0.7500000   0.7500000), wk =   0.0000000
        k(   19) = (   0.2500000  -0.7500000   0.2500000), wk =   0.0625000
        k(   20) = (   0.7500000  -0.7500000   0.7500000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.26 MB

     Estimated total dynamical RAM >      49.05 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.2

     total cpu time spent up to now is        4.6 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.7500-0.2500 1.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.7500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.2500-0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k = 0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 1.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.7500-0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.7500-0.2500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500 0.7500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.7500-0.7500 0.7500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.5000000 )
 
      4 Sym.Ops. (no q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=    20  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     37.65s CPU     40.61s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    40.9 secs   av.it.:   9.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.304E-03

      iter #   2 total cpu time :    41.1 secs   av.it.:  10.8
      thresh= 7.940E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.663E-01

      iter #   3 total cpu time :    41.4 secs   av.it.:  10.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.898E-03

      iter #   4 total cpu time :    41.6 secs   av.it.:   8.8
      thresh= 5.383E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.474E-05

      iter #   5 total cpu time :    41.8 secs   av.it.:   8.8
      thresh= 4.974E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.082E-09

      iter #   6 total cpu time :    42.1 secs   av.it.:  10.7
      thresh= 3.289E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.058E-11

      iter #   7 total cpu time :    42.4 secs   av.it.:  10.8
      thresh= 6.370E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.150E-12

      iter #   8 total cpu time :    42.6 secs   av.it.:  11.1
      thresh= 2.269E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.105E-10

      iter #   9 total cpu time :    42.9 secs   av.it.:   8.2
      thresh= 1.051E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.130E-12

      iter #  10 total cpu time :    43.1 secs   av.it.:   9.2
      thresh= 1.769E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.355E-12

      iter #  11 total cpu time :    43.3 secs   av.it.:   8.9
      thresh= 1.535E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.723E-13

      iter #  12 total cpu time :    43.6 secs   av.it.:   9.3
      thresh= 6.872E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.333E-15

      iter #  13 total cpu time :    43.8 secs   av.it.:   9.3
      thresh= 6.583E-09 alpha_mix =  0.700 |ddv_scf|^2 =  6.814E-16

      iter #  14 total cpu time :    44.0 secs   av.it.:  10.0
      thresh= 2.610E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.604E-15

      iter #  15 total cpu time :    44.2 secs   av.it.:   8.3
      thresh= 5.103E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.966E-16

      iter #  16 total cpu time :    44.4 secs   av.it.:   9.1
      thresh= 1.402E-09 alpha_mix =  0.700 |ddv_scf|^2 =  8.903E-19

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    44.6 secs   av.it.:   7.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.916E-06

      iter #   2 total cpu time :    44.9 secs   av.it.:  11.2
      thresh= 3.149E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.557E-07

      iter #   3 total cpu time :    45.1 secs   av.it.:  10.4
      thresh= 7.454E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.866E-09

      iter #   4 total cpu time :    45.4 secs   av.it.:  10.7
      thresh= 9.416E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.598E-10

      iter #   5 total cpu time :    45.6 secs   av.it.:  10.9
      thresh= 1.897E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.025E-12

      iter #   6 total cpu time :    45.9 secs   av.it.:  10.5
      thresh= 1.012E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.579E-15

      iter #   7 total cpu time :    46.1 secs   av.it.:   9.7
      thresh= 7.469E-09 alpha_mix =  0.700 |ddv_scf|^2 =  3.382E-16

      iter #   8 total cpu time :    46.4 secs   av.it.:  10.5
      thresh= 1.839E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.651E-19

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    46.6 secs   av.it.:   8.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.790E-05

      iter #   2 total cpu time :    46.9 secs   av.it.:  11.0
      thresh= 8.240E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.014E-05

      iter #   3 total cpu time :    47.1 secs   av.it.:  10.3
      thresh= 4.488E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-08

      iter #   4 total cpu time :    47.4 secs   av.it.:  10.6
      thresh= 1.177E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.761E-10

      iter #   5 total cpu time :    47.6 secs   av.it.:  10.5
      thresh= 1.327E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.119E-12

      iter #   6 total cpu time :    47.8 secs   av.it.:  10.5
      thresh= 1.766E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.049E-14

      iter #   7 total cpu time :    48.1 secs   av.it.:  10.6
      thresh= 1.431E-08 alpha_mix =  0.700 |ddv_scf|^2 =  4.656E-16

      iter #   8 total cpu time :    48.3 secs   av.it.:  10.3
      thresh= 2.158E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.117E-18

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =   12
     List of q in the star:
          1   0.500000000   0.000000000   0.500000000
          2  -0.500000000   0.000000000   0.500000000
          3  -0.500000000   0.000000000  -0.500000000
          4   0.500000000   0.000000000  -0.500000000
          5   0.000000000   0.500000000  -0.500000000
          6  -0.500000000   0.500000000   0.000000000
          7   0.000000000   0.500000000   0.500000000
          8   0.000000000  -0.500000000  -0.500000000
          9   0.500000000   0.500000000   0.000000000
         10   0.500000000  -0.500000000   0.000000000
         11  -0.500000000  -0.500000000   0.000000000
         12   0.000000000  -0.500000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.000000000   0.500000000 ) 

 **************************************************************************
     freq (    1) =       2.856569 [THz] =      95.284896 [cm-1]
     freq (    2) =       4.035108 [THz] =     134.596701 [cm-1]
     freq (    3) =       5.304844 [THz] =     176.950549 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =         95.3  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        134.6  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        177.0  [cm-1]   --> A_1  D_1  S_1      

     Calculation of q =    0.0000000  -1.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     132
     Max         119      56     22                 1715      558     135
     Sum         475     223     85                 6855     2229     531
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=     6  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.2500000
        k(    2) = (  -0.2500000  -0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.5000000
        k(    4) = (   0.2500000  -1.2500000   0.7500000), wk =   0.0000000
        k(    5) = (  -0.2500000   0.7500000   0.2500000), wk =   0.2500000
        k(    6) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.28 MB

     Estimated total dynamical RAM >      49.13 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.7

     total cpu time spent up to now is        5.0 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.2500-0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-1.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -1.0000000   0.0000000 )
 
     17 Sym.Ops. (with q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=     6  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, D_4h(4/mmm) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_2u X_4' M_4'  To be done

     Representation     2      2 modes -E_u  X_5' M_5'  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     45.46s CPU     49.02s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    49.1 secs   av.it.:   8.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.837E-04

      iter #   2 total cpu time :    49.3 secs   av.it.:  10.7
      thresh= 2.199E-03 alpha_mix =  0.700 |ddv_scf|^2 =  5.208E-04

      iter #   3 total cpu time :    49.4 secs   av.it.:   9.3
      thresh= 2.282E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.226E-08

      iter #   4 total cpu time :    49.5 secs   av.it.:  10.7
      thresh= 1.492E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.950E-10

      iter #   5 total cpu time :    49.6 secs   av.it.:   9.7
      thresh= 1.396E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.734E-12

      iter #   6 total cpu time :    49.7 secs   av.it.:  10.3
      thresh= 2.176E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.745E-15

      iter #   7 total cpu time :    49.8 secs   av.it.:  10.7
      thresh= 8.213E-09 alpha_mix =  0.700 |ddv_scf|^2 =  2.979E-16

      iter #   8 total cpu time :    49.9 secs   av.it.:  10.0
      thresh= 1.726E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.378E-18

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    50.1 secs   av.it.:   7.5
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.680E-06

      iter #   2 total cpu time :    50.3 secs   av.it.:  11.5
      thresh= 2.771E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.049E-06

      iter #   3 total cpu time :    50.5 secs   av.it.:  11.2
      thresh= 1.024E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.459E-09

      iter #   4 total cpu time :    50.8 secs   av.it.:  11.0
      thresh= 4.959E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.604E-12

      iter #   5 total cpu time :    51.0 secs   av.it.:  11.0
      thresh= 2.146E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.660E-14

      iter #   6 total cpu time :    51.2 secs   av.it.:  11.0
      thresh= 2.159E-08 alpha_mix =  0.700 |ddv_scf|^2 =  7.099E-16

      iter #   7 total cpu time :    51.4 secs   av.it.:  10.5
      thresh= 2.664E-09 alpha_mix =  0.700 |ddv_scf|^2 =  5.043E-19

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    3
     List of q in the star:
          1   0.000000000  -1.000000000   0.000000000
          2  -1.000000000   0.000000000   0.000000000
          3   0.000000000   0.000000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000  -1.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       3.691552 [THz] =     123.136927 [cm-1]
     freq (    2) =       3.691552 [THz] =     123.136927 [cm-1]
     freq (    3) =       5.815222 [THz] =     193.974936 [cm-1]
 **************************************************************************

     Mode symmetry, D_4h(4/mmm) point group:

     freq (  1 -  2) =        123.1  [cm-1]   --> E_u  X_5' M_5'     
     freq (  3 -  3) =        194.0  [cm-1]   --> A_2u X_4' M_4'     

     Calculation of q =   -0.5000000  -1.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         118      55     21                 1712      556     132
     Max         119      56     22                 1715      558     135
     Sum         475     223     85                 6855     2229     531
 

     Title: 
     phonon dispersions of Pt                                                   


     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=           18
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     250.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit


     celldm(1)=   7.420000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Pt            10.00   195.07800     Pt( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Pt  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=     8  Marzari-Vanderbilt smearing, width (Ry)=  0.0200
                       cart. coord. in units 2pi/alat
        k(    1) = (  -0.2500000   0.2500000   0.2500000), wk =   0.2500000
        k(    2) = (  -0.7500000  -0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.2500000  -0.2500000   0.7500000), wk =   0.2500000
        k(    4) = (  -0.2500000  -1.2500000   0.7500000), wk =   0.0000000
        k(    5) = (  -0.7500000   0.2500000  -0.2500000), wk =   0.2500000
        k(    6) = (  -1.2500000  -0.7500000  -0.2500000), wk =   0.0000000
        k(    7) = (  -0.2500000   0.2500000   0.7500000), wk =   0.2500000
        k(    8) = (  -0.7500000  -0.7500000   0.7500000), wk =   0.0000000

     Dense  grid:     6855 G-vectors     FFT dimensions: (  27,  27,  27)

     Smooth grid:     2229 G-vectors     FFT dimensions: (  20,  20,  20)

     Estimated max dynamical RAM per process >      12.29 MB

     Estimated total dynamical RAM >      49.16 MB

     Check: negative core charge=   -0.000004

     The potential is recalculated from file :
     /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/charge-density

     Starting wfcs are   12 atomic +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-10,  avg # of iterations = 15.2

     total cpu time spent up to now is        5.4 secs

     End of band structure calculation

          k =-0.2500 0.2500 0.2500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

          k =-0.7500-0.7500 0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k = 0.2500-0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500-1.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.7500 0.2500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-1.2500-0.7500-0.2500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.2500 0.2500 0.7500 (   283 PWs)   bands (ev):

    11.2910  11.2910  12.4161  12.4161  13.9359  13.9359  15.5889  15.5889
    17.8747  17.8747  20.6641  20.6641  25.0087  25.0087  31.6343  31.6343
    33.8373  33.8373

          k =-0.7500-0.7500 0.7500 (   289 PWs)   bands (ev):

     9.3170   9.3170  13.3107  13.3107  13.5800  13.5800  14.7744  14.7744
    16.0692  16.0692  16.6624  16.6624  31.1506  31.1506  35.9701  35.9701
    39.8081  39.8081

     the Fermi energy is    17.9731 ev

     Writing output data file /home/giannozz/q-e-mio/tempdir/_ph0/platinum.save/

     phonon dispersions of Pt                                                   

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.4200  a.u.
     unit-cell volume          =     102.1296 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      30.0000  Ry
     charge density cut-off    =     250.0000  Ry
     convergence threshold     =      1.0E-16
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Non magnetic calculation with spin-orbit

     celldm(1)=    7.42000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Pt 195.0780   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000  -1.0000000   0.0000000 )
 
      8 Sym.Ops. (no q -> -q+G )


     G cutoff =  348.6487  (   1715 G-vectors)     FFT grid: ( 27, 27, 27)
     G cutoff =  167.3514  (    557 G-vectors)  smooth grid: ( 20, 20, 20)

     number of k points=     8  Marzari-Vanderbilt smearing, width (Ry)=  0.0200

     PseudoPot. # 1 for Pt read from file:
     /home/giannozz/q-e-mio/pseudo/Pt.rel-pz-n-rrkjus.UPF
     MD5 check sum: 29bb1080eaf7d3d26ad87326ed34c38e
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1277 points,  6 beta functions with: 
                l(1) =   2
                l(2) =   2
                l(3) =   2
                l(4) =   2
                l(5) =   1
                l(6) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, D_2d (-42m) point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -B_2  X_3  W_2  To be done

     Representation     2      2 modes -E    X_5  W_3  To be done



     Alpha used in Ewald sum =   2.6000
     PHONON       :     48.38s CPU     52.12s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    52.2 secs   av.it.:   8.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.097E-05

      iter #   2 total cpu time :    52.4 secs   av.it.:  11.2
      thresh= 8.999E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.784E-05

      iter #   3 total cpu time :    52.5 secs   av.it.:  10.5
      thresh= 6.152E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.954E-08

      iter #   4 total cpu time :    52.6 secs   av.it.:  11.0
      thresh= 2.440E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.609E-09

      iter #   5 total cpu time :    52.8 secs   av.it.:  10.5
      thresh= 5.108E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.594E-12

      iter #   6 total cpu time :    52.9 secs   av.it.:  10.5
      thresh= 3.097E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.636E-13

      iter #   7 total cpu time :    53.0 secs   av.it.:  10.5
      thresh= 4.045E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.303E-15

      iter #   8 total cpu time :    53.2 secs   av.it.:  10.5
      thresh= 4.799E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.015E-17

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    53.4 secs   av.it.:   8.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.172E-05

      iter #   2 total cpu time :    53.7 secs   av.it.:  12.1
      thresh= 6.459E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.270E-05

      iter #   3 total cpu time :    53.9 secs   av.it.:  11.2
      thresh= 4.764E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.116E-09

      iter #   4 total cpu time :    54.2 secs   av.it.:  11.8
      thresh= 6.416E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.272E-11

      iter #   5 total cpu time :    54.4 secs   av.it.:  11.8
      thresh= 7.261E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.132E-12

      iter #   6 total cpu time :    54.6 secs   av.it.:  11.5
      thresh= 1.064E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.022E-14

      iter #   7 total cpu time :    54.9 secs   av.it.:  11.5
      thresh= 1.422E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.195E-16

      iter #   8 total cpu time :    55.1 secs   av.it.:  11.6
      thresh= 1.093E-09 alpha_mix =  0.700 |ddv_scf|^2 =  1.024E-18

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    6
     List of q in the star:
          1  -0.500000000  -1.000000000   0.000000000
          2   0.000000000   1.000000000   0.500000000
          3   0.000000000  -1.000000000  -0.500000000
          4   0.500000000   1.000000000   0.000000000
          5  -1.000000000  -0.500000000   0.000000000
          6   0.000000000  -0.500000000  -1.000000000

     Diagonalizing the dynamical matrix

     q = (   -0.500000000  -1.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       3.975390 [THz] =     132.604721 [cm-1]
     freq (    2) =       5.105603 [THz] =     170.304590 [cm-1]
     freq (    3) =       5.105603 [THz] =     170.304590 [cm-1]
 **************************************************************************

     Mode symmetry, D_2d (-42m) point group:

     freq (  1 -  1) =        132.6  [cm-1]   --> B_2  X_3  W_2      
     freq (  2 -  3) =        170.3  [cm-1]   --> E    X_5  W_3      
 
     init_run     :      0.72s CPU      0.75s WALL (       7 calls)
     electrons    :      4.40s CPU      4.63s WALL (       7 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       7 calls)
     potinit      :      0.01s CPU      0.01s WALL (       7 calls)
     hinit0       :      0.64s CPU      0.64s WALL (       7 calls)

     Called by electrons:
     c_bands      :      4.39s CPU      4.63s WALL (       7 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       8 calls)
     newd         :      0.06s CPU      0.09s WALL (       8 calls)

     Called by c_bands:
     init_us_2    :      0.05s CPU      0.05s WALL (    2202 calls)
     cegterg      :      4.06s CPU      4.28s WALL (     118 calls)

     Called by sum_band:

     Called by *egterg:
     cdiaghg      :      1.23s CPU      1.27s WALL (    1887 calls)
     h_psi        :     26.17s CPU     28.57s WALL (   26641 calls)
     s_psi        :      1.85s CPU      2.03s WALL (   53209 calls)
     g_psi        :      0.01s CPU      0.01s WALL (    1771 calls)

     Called by h_psi:
     h_psi:calbec :      1.46s CPU      1.60s WALL (   26641 calls)
     vloc_psi     :     23.64s CPU     25.80s WALL (   26641 calls)
     add_vuspsi   :      0.93s CPU      1.02s WALL (   26641 calls)

     General routines
     calbec       :      2.59s CPU      2.82s WALL (   56875 calls)
     fft          :      1.33s CPU      1.34s WALL (    2082 calls)
     ffts         :      0.04s CPU      0.05s WALL (     822 calls)
     fftw         :     24.50s CPU     26.82s WALL ( 1084512 calls)
     interpolate  :      0.08s CPU      0.09s WALL (     523 calls)
     davcio       :      0.19s CPU      0.31s WALL (   11424 calls)
 
     Parallel routines
     fft_scatt_xy :      2.84s CPU      3.09s WALL ( 1087416 calls)
     fft_scatt_yz :     12.20s CPU     13.24s WALL ( 1087416 calls)
 
     PHONON       :     51.22s CPU     55.15s WALL

     INITIALIZATION: 
     phq_setup    :      0.02s CPU      0.03s WALL (       8 calls)
     phq_init     :      3.38s CPU      3.42s WALL (       8 calls)
 
     phq_init     :      3.38s CPU      3.42s WALL (       8 calls)
     set_drhoc    :      0.32s CPU      0.33s WALL (      24 calls)
     init_vloc    :      0.01s CPU      0.01s WALL (       8 calls)
     init_us_1    :      0.66s CPU      0.67s WALL (       8 calls)
     newd         :      0.06s CPU      0.09s WALL (       8 calls)
     dvanqq       :      0.40s CPU      0.41s WALL (       8 calls)
     drho         :      2.07s CPU      2.09s WALL (       8 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :      0.66s CPU      0.67s WALL (       8 calls)
     phqscf       :     42.26s CPU     45.85s WALL (       8 calls)
     dynmatrix    :      0.01s CPU      0.01s WALL (       8 calls)
 
     phqscf       :     42.26s CPU     45.85s WALL (       8 calls)
     solve_linter :     42.10s CPU     45.68s WALL (      17 calls)
     drhodv       :      0.14s CPU      0.15s WALL (      17 calls)
 
     dynmat0      :      0.66s CPU      0.67s WALL (       8 calls)
     dynmat_us    :      0.35s CPU      0.36s WALL (       8 calls)
     d2ionq       :      0.03s CPU      0.03s WALL (       8 calls)
     dynmatcc     :      0.25s CPU      0.25s WALL (       8 calls)
 
     dynmat_us    :      0.35s CPU      0.36s WALL (       8 calls)
     addusdynmat  :      0.05s CPU      0.05s WALL (       8 calls)
 
     phqscf       :     42.26s CPU     45.85s WALL (       8 calls)
     solve_linter :     42.10s CPU     45.68s WALL (      17 calls)
 
     solve_linter :     42.10s CPU     45.68s WALL (      17 calls)
     dvqpsi_us    :      0.73s CPU      0.80s WALL (     180 calls)
     ortho        :      0.60s CPU      0.64s WALL (    1932 calls)
     cgsolve      :     27.91s CPU     30.56s WALL (    1932 calls)
     incdrhoscf   :      2.36s CPU      2.62s WALL (    1932 calls)
     addusddens   :      2.85s CPU      2.87s WALL (     187 calls)
     vpsifft      :      1.98s CPU      2.18s WALL (    1752 calls)
     dv_of_drho   :      0.07s CPU      0.07s WALL (     219 calls)
     mix_pot      :      0.09s CPU      0.10s WALL (     170 calls)
     ef_shift     :      0.00s CPU      0.00s WALL (       7 calls)
     localdos     :      0.01s CPU      0.01s WALL (       1 calls)
     psymdvscf    :      1.31s CPU      1.32s WALL (     170 calls)
     newdq        :      3.22s CPU      3.29s WALL (     170 calls)
     adddvscf     :      0.28s CPU      0.31s WALL (    1752 calls)
     drhodvus     :      0.00s CPU      0.00s WALL (      17 calls)
 
     dvqpsi_us    :      0.73s CPU      0.80s WALL (     180 calls)
     dvqpsi_us_on :      0.40s CPU      0.43s WALL (     180 calls)
 
     cgsolve      :     27.91s CPU     30.56s WALL (    1932 calls)
     ch_psi       :     27.25s CPU     29.84s WALL (   24636 calls)
 
     ch_psi       :     27.25s CPU     29.84s WALL (   24636 calls)
     h_psi        :     26.17s CPU     28.57s WALL (   26641 calls)
     last         :      2.55s CPU      2.79s WALL (   24636 calls)
 
     h_psi        :     26.17s CPU     28.57s WALL (   26641 calls)
     add_vuspsi   :      0.93s CPU      1.02s WALL (   26641 calls)
 
     incdrhoscf   :      2.36s CPU      2.62s WALL (    1932 calls)
 
     drhodvus     :      0.00s CPU      0.00s WALL (      17 calls)
 
      General routines
     calbec       :      2.59s CPU      2.82s WALL (   56875 calls)
     fft          :      1.33s CPU      1.34s WALL (    2082 calls)
     ffts         :      0.04s CPU      0.05s WALL (     822 calls)
     fftw         :     24.50s CPU     26.82s WALL ( 1084512 calls)
     davcio       :      0.19s CPU      0.31s WALL (   11424 calls)
     write_rec    :      0.19s CPU      0.26s WALL (     187 calls)
 
 
     PHONON       :     51.22s CPU     55.15s WALL

 
   This run was terminated on:  21:12:43  19Mar2020            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=