File: mn_pbe_v1.5.uspp.F.UPF

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quantum-espresso-data-sssp 1.3.0-3
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<PP_INFO>
Generated using Vanderbilt code, version   7  3  6                              
Author: kfg        Generation date:   16    6   15                              
Automatically converted from original format                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.45000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
3S  3  0  2.00      0.00000000000      1.45000000000     -6.60016099200
3P  3  1  6.00      0.00000000000      1.45000000000     -4.30139239000
4S  4  0  1.50      0.00000000000      1.45000000000     -0.61588547900
3D  3  2  5.00      0.00000000000      1.70000000000     -0.78363640200
4P  4  1  0.00      0.00000000000      1.45000000000     -0.30420916800
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Mn                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
   15.00000000000      Z valence
 -210.27296793400      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  859                  Number of points in mesh
    5    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       3S  0  2.00
                       3P  1  6.00
                       4S  0  1.50
                       3D  2  5.00
                       4P  1  0.00
</PP_HEADER>


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  3.21889267594E-09  3.42041797220E-09  3.63370919181E-09  3.85940036583E-09
  4.09820179857E-09  4.35085938126E-09  4.61810854360E-09  4.90080995363E-09
  5.19975328332E-09  5.51592289154E-09  5.85021079880E-09  6.20365441157E-09
  6.57730157539E-09  6.97226974190E-09  7.38974767889E-09  7.83095729613E-09
  8.29722609514E-09  8.78991838847E-09  9.31048150915E-09  9.86049407591E-09
  1.04415050746E-08  1.10552642540E-08  1.17035444818E-08  1.23882481229E-08
  1.31113423375E-08  1.38749733753E-08  1.46812788741E-08  1.55326679082E-08
  1.64315542181E-08  1.73805175106E-08  1.83823145142E-08  1.94398033503E-08
  2.05559993799E-08  2.17341029310E-08  2.29774663677E-08  2.42896537565E-08
  2.56743677769E-08  2.71354797887E-08  2.86772943974E-08  3.03039725861E-08
  3.20202503241E-08  3.38308881909E-08  3.57410122246E-08  3.77559413251E-08
  3.98814437215E-08  4.21233047089E-08  4.44879611275E-08  4.69818473059E-08
  4.96121083983E-08  5.23858951722E-08  5.53110525236E-08  5.83956320741E-08
  6.16482142441E-08  6.50777776100E-08  6.86939333042E-08  7.25065132224E-08
  7.65261366361E-08  8.07638828147E-08  8.52314046154E-08  8.99409674481E-08
  9.49056302175E-08  1.00138869941E-07  1.05655160200E-07  1.11469498213E-07
  1.17597910271E-07  1.24057134600E-07  1.30864705023E-07  1.38039314365E-07
  1.45600442482E-07  1.53568802155E-07  1.61965930244E-07  1.70814744230E-07
  1.80139232168E-07  1.89964765233E-07  2.00317943294E-07  2.11226825093E-07
  2.22720854633E-07  2.34831289051E-07  2.47590755273E-07  2.61033784477E-07
  2.75196531678E-07  2.90117264055E-07  3.05836281462E-07  3.22395737266E-07
  3.39840249579E-07  3.58216922785E-07  3.77574649654E-07  3.97966068945E-07
  4.19445337785E-07  4.42070369452E-07  4.65901695067E-07  4.91003217041E-07
  5.17441983291E-07  5.45288913563E-07  5.74618256269E-07  6.05508743854E-07
  6.38042214605E-07  6.72306227811E-07  7.08391788922E-07  7.46395132021E-07
  7.86417612749E-07  8.28565769106E-07  8.72951834255E-07  9.19693896465E-07
  9.68916137531E-07  1.02074975236E-06  1.07533185694E-06  1.13280800669E-06
  1.19333031642E-06  1.25705952353E-06  1.32416477787E-06  1.39482361481E-06
  1.46922350457E-06  1.54756143668E-06  1.63004468162E-06  1.71689179908E-06
  1.80833192114E-06  1.90460764246E-06  2.00597260747E-06  2.11269538475E-06
  2.22505723897E-06  2.34335496530E-06  2.46790094109E-06  2.59902369792E-06
  2.73706874815E-06  2.88240039620E-06  3.03540128784E-06  3.19647498701E-06
  3.36604510081E-06  3.54455838307E-06  3.73248508141E-06  3.93031841813E-06
  4.13858024218E-06  4.35781713435E-06  4.58860567223E-06  4.83155266170E-06
  5.08729571897E-06  5.35650704290E-06  5.63989332142E-06  5.93819829997E-06
  6.25220471086E-06  6.58273664973E-06  6.93066077963E-06  7.29688933359E-06
  7.68238220153E-06  8.08815008355E-06  8.51525568516E-06  8.96481788825E-06
  9.43801374374E-06  9.93608277447E-06  1.04603273917E-05  1.10121208113E-05
  1.15929055949E-05  1.22042017574E-05  1.28476066578E-05  1.35248038337E-05
  1.42375617417E-05  1.49877444943E-05  1.57773108702E-05  1.66083240363E-05
  1.74829539850E-05  1.84034841006E-05  1.93723179702E-05  2.03919832117E-05
  2.14651414257E-05  2.25945915379E-05  2.37832800749E-05  2.50343063099E-05
  2.63509322106E-05  2.77365904158E-05  2.91948904444E-05  3.07296342780E-05
  3.23448190482E-05  3.40446520984E-05  3.58335599645E-05  3.77162003242E-05
  3.96974742914E-05  4.17825381880E-05  4.39768181472E-05  4.62860223329E-05
  4.87161579329E-05  5.12735450606E-05  5.39648333633E-05  5.67970189269E-05
  5.97774641381E-05  6.29139140786E-05  6.62145169988E-05  6.96878490371E-05
  7.33429290237E-05  7.71892508905E-05  8.12367970652E-05  8.54960777164E-05
  8.99781443496E-05  9.46946278535E-05  9.96577629544E-05  1.04880422848E-04
  1.10376152015E-04  1.16159196502E-04  1.22244548964E-04  1.28647979153E-04
  1.35386079538E-04  1.42476303162E-04  1.49937015574E-04  1.57787535119E-04
  1.66048183496E-04  1.74740343164E-04  1.83886506568E-04  1.93510333187E-04
  2.03636717981E-04  2.14291842515E-04  2.25503255647E-04  2.37299932730E-04
  2.49712355837E-04  2.62772590134E-04  2.76514364387E-04  2.90973159443E-04
  3.06186295915E-04  3.22193031742E-04  3.39034661789E-04  3.56754618904E-04
  3.75398591421E-04  3.95014633540E-04  4.15653290498E-04  4.37367723790E-04
  4.60213848608E-04  4.84250476518E-04  5.09539459267E-04  5.36145851252E-04
  5.64138070977E-04  5.93588067744E-04  6.24571523172E-04  6.57168013432E-04
  6.91461231516E-04  7.27539193151E-04  7.65494446588E-04  8.05424323884E-04
  8.47431167258E-04  8.91622595921E-04  9.38111770917E-04  9.87017680319E-04
  1.03846543526E-03  1.09258657740E-03  1.14951941513E-03  1.20940935771E-03
  1.27240928362E-03  1.33867991203E-03  1.40839020926E-03  1.48171779523E-03
  1.55884939179E-03  1.63998127230E-03  1.72531975189E-03  1.81508169010E-03
  1.90949501686E-03  2.00879929560E-03  2.11324630733E-03  2.22310065082E-03
  2.33864040105E-03  2.46015777201E-03  2.58795981951E-03  2.72236918856E-03
  2.86372488118E-03  3.01238307549E-03  3.16871796229E-03  3.33312265390E-03
  3.50601010220E-03  3.68781407952E-03  3.87899020687E-03  4.08001702043E-03
  4.29139707859E-03  4.51365816606E-03  4.74735448379E-03  4.99306795447E-03
  5.25140955656E-03  5.52302071938E-03  5.80857480026E-03  6.10877860601E-03
  6.42437398946E-03  6.75613952593E-03  7.10489224882E-03  7.47148947041E-03
  7.85683068393E-03  8.26185951781E-03  8.68756583791E-03  9.13498785628E-03
  9.60521438864E-03  1.00993871862E-02  1.06187033445E-02  1.11644178548E-02
  1.17378461772E-02  1.23403670376E-02  1.29734251812E-02  1.36385343671E-02
  1.43372803937E-02  1.50713242554E-02  1.58424054290E-02  1.66523452587E-02
  1.75030504515E-02  1.83965167257E-02  1.93348325251E-02  2.03201829079E-02
  2.13548535160E-02  2.24412346722E-02  2.35818256043E-02  2.47792387806E-02
  2.60362043556E-02  2.73555747110E-02  2.87403291456E-02  3.01935786236E-02
  3.17185706093E-02  3.33186940664E-02  3.49974844166E-02  3.67586286759E-02
  3.86059705586E-02  4.05435157122E-02  4.25754368795E-02  4.47060791478E-02
  4.69399651619E-02  4.92818002745E-02  5.17364776758E-02  5.43090834371E-02
  5.70049013718E-02  5.98294178360E-02  6.27883262528E-02  6.58875314461E-02
  6.91331536724E-02  7.25315323225E-02  7.60892292123E-02  7.98130314595E-02
  8.37099537286E-02  8.77872400730E-02  9.20523648229E-02  9.65130329561E-02
  1.01177179423E-01  1.06052967587E-01  1.11148786537E-01  1.16473247204E-01
  1.22035177124E-01  1.27843613721E-01  1.33907795945E-01  1.40237154090E-01
  1.46841297712E-01  1.53730001207E-01  1.60913187241E-01  1.68400907428E-01
  1.76203320302E-01  1.84330666137E-01  1.92793238668E-01  2.01601352965E-01
  2.10765309817E-01  2.20295355596E-01  2.30201638049E-01  2.40494157125E-01
  2.51182710717E-01  2.62276835189E-01  2.73785739912E-01  2.85718235831E-01
  2.98082657584E-01  3.10886778618E-01  3.24137719591E-01  3.37841848430E-01
  3.52004673705E-01  3.66630728417E-01  3.81723446818E-01  3.97285030910E-01
  4.13316309506E-01  4.29816586506E-01  4.46783481477E-01  4.64212759063E-01
  4.82098150760E-01  5.00431165560E-01  5.19200893120E-01  5.38393796458E-01
  5.57993497796E-01  5.77980555009E-01  5.98332232490E-01  6.19022264565E-01
  6.40020615201E-01  6.61293232998E-01  6.82801805468E-01  7.04503512718E-01
  7.26350783601E-01  7.48291057555E-01  7.70266553362E-01  7.92214050745E-01
  8.14064685485E-01  8.35743765737E-01  8.57170610615E-01  8.78258419546E-01
  8.98914174824E-01  9.19038586222E-01  9.38526081266E-01  9.57264850848E-01
  9.75136954330E-01  9.92018494671E-01  1.00777986804E+00  1.02228609891E+00
  1.03539726504E+00  1.04696902290E+00  1.05685323846E+00  1.06489873033E+00
  1.07095213252E+00  1.07485887763E+00  1.07646430801E+00  1.07561491090E+00
  1.07215968071E+00  1.06595159994E+00  1.05684923518E+00  1.04471843272E+00
  1.02943410211E+00  1.01088206289E+00  9.88960932560E-01  9.63584020333E-01
  9.34681192355E-01  9.02200661556E-01  8.66110654966E-01  8.26400900325E-01
  7.83083873792E-01  7.36195742935E-01  6.85796939151E-01  6.31972295099E-01
  5.74830683245E-01  5.14504104689E-01  4.51146185693E-01  3.84930064876E-01
  3.16045677109E-01  2.44696483113E-01  1.71095736740E-01  9.54624490728E-02
  1.80172762473E-02 -6.10213461020E-02 -1.41440401955E-01 -2.23034283413E-01
 -3.05604899552E-01 -3.88959091457E-01 -4.72902402300E-01 -5.57228107639E-01
 -6.41700299124E-01 -7.26029726256E-01 -8.09841083366E-01 -8.92630497390E-01
 -9.73712175015E-01 -1.05215355824E+00 -1.12669897185E+00 -1.19568271287E+00
 -1.25693390971E+00 -1.30767738843E+00 -1.34443732735E+00 -1.36295380241E+00
 -1.35812654130E+00 -1.32400544181E+00 -1.25281061451E+00 -1.16107039324E+00
 -1.04814991210E+00 -9.13206793836E-01 -7.57188861004E-01 -5.83987211969E-01
 -4.02031921842E-01 -2.26375281821E-01 -8.09868254163E-02 -5.32457469939E-03
  2.85347971574E-04  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00
  </PP_BETA>
  <PP_DIJ>
    9                  Number of nonzero Dij
    1    1  2.07264781434E-01
    1    2  4.37659927619E-01
    2    2  1.67094072103E+00
    3    3  9.96698342441E+00
    3    4  1.47779123489E+01
    4    4  2.11849123495E+01
    5    5  6.56900102535E+01
    5    6  7.79755752036E+01
    6    6  9.25036629756E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  9.50000000000E-01
    2  9.50000000000E-01
    3  9.50000000000E-01
    4  9.50000000000E-01
    5  9.50000000000E-01
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -1.28715720075E-01    Q_int
  0.00000000000E+00 -2.94702689089E-11 -1.19904699057E-10 -2.74430026276E-10
 -4.96298310654E-10 -7.88891557055E-10 -1.15572650007E-09 -1.60045955915E-09
 -2.12689196989E-09 -2.73897509762E-09 -3.44081593970E-09 -4.23668282304E-09
 -5.13101130382E-09 -6.12841027631E-09 -7.23366829826E-09 -8.45176014025E-09
 -9.78785356702E-09 -1.12473163587E-08 -1.28357235805E-08 -1.45588651093E-08
 -1.64227534262E-08 -1.84336316849E-08 -2.05979820639E-08 -2.29225344147E-08
 -2.54142752144E-08 -2.80804568340E-08 -3.09286071340E-08 -3.39665393978E-08
 -3.72023626146E-08 -4.06444921256E-08 -4.43016606434E-08 -4.81829296607E-08
 -5.22977012593E-08 -5.66557303343E-08 -6.12671372489E-08 -6.61424209333E-08
 -7.12924724433E-08 -7.67285889961E-08 -8.24624884979E-08 -8.85063245821E-08
 -9.48727021743E-08 -1.01574693604E-07 -1.08625855282E-07 -1.16040244958E-07
 -1.23832439590E-07 -1.32017553834E-07 -1.40611259186E-07 -1.49629803786E-07
 -1.59090032926E-07 -1.69009410269E-07 -1.79406039813E-07 -1.90298688619E-07
 -2.01706810339E-07 -2.13650569567E-07 -2.26150867033E-07 -2.39229365691E-07
 -2.52908517701E-07 -2.67211592372E-07 -2.82162705068E-07 -2.97786847124E-07
 -3.14109916815E-07 -3.31158751397E-07 -3.48961160270E-07 -3.67545959295E-07
 -3.86943006312E-07 -4.07183237896E-07 -4.28298707387E-07 -4.50322624257E-07
 -4.73289394840E-07 -4.97234664488E-07 -5.22195361188E-07 -5.48209740707E-07
 -5.75317433301E-07 -6.03559492054E-07 -6.32978442905E-07 -6.63618336406E-07
 -6.95524801288E-07 -7.28745099891E-07 -7.63328185520E-07 -7.99324761796E-07
 -8.36787344077E-07 -8.75770323003E-07 -9.16330030266E-07 -9.58524806653E-07
 -1.00241507246E-06 -1.04806340036E-06 -1.09553459079E-06 -1.14489574995E-06
 -1.19621637056E-06 -1.24956841535E-06 -1.30502640352E-06 -1.36266750015E-06
 -1.42257160873E-06 -1.48482146693E-06 -1.54950274564E-06 -1.61670415154E-06
 -1.68651753307E-06 -1.75903799029E-06 -1.83436398835E-06 -1.91259747505E-06
 -1.99384400235E-06 -2.07821285223E-06 -2.16581716679E-06 -2.25677408296E-06
 -2.35120487180E-06 -2.44923508267E-06 -2.55099469246E-06 -2.65661825983E-06
 -2.76624508498E-06 -2.88001937483E-06 -2.99809041400E-06 -3.12061274165E-06
 -3.24774633451E-06 -3.37965679620E-06 -3.51651555317E-06 -3.65850005734E-06
 -3.80579399585E-06 -3.95858750803E-06 -4.11707740987E-06 -4.28146742628E-06
 -4.45196843144E-06 -4.62879869736E-06 -4.81218415118E-06 -5.00235864127E-06
 -5.19956421257E-06 -5.40405139154E-06 -5.61607948082E-06 -5.83591686424E-06
 -6.06384132230E-06 -6.30014035856E-06 -6.54511153740E-06 -6.79906283337E-06
 -7.06231299271E-06 -7.33519190732E-06 -7.61804100169E-06 -7.91121363322E-06
 -8.21507550639E-06 -8.53000510119E-06 -8.85639411651E-06 -9.19464792867E-06
 -9.54518606600E-06 -9.90844269969E-06 -1.02848671517E-05 -1.06749244200E-05
 -1.10790957226E-05 -1.14978790596E-05 -1.19317897948E-05 -1.23813612583E-05
 -1.28471453687E-05 -1.33297132776E-05 -1.38296560360E-05 -1.43475852839E-05
 -1.48841339640E-05 -1.54399570592E-05 -1.60157323566E-05 -1.66121612374E-05
 -1.72299694936E-05 -1.78699081743E-05 -1.85327544596E-05 -1.92193125661E-05
 -1.99304146824E-05 -2.06669219381E-05 -2.14297254055E-05 -2.22197471360E-05
 -2.30379412327E-05 -2.38852949595E-05 -2.47628298889E-05 -2.56716030890E-05
 -2.66127083523E-05 -2.75872774657E-05 -2.85964815256E-05 -2.96415322977E-05
 -3.07236836236E-05 -3.18442328764E-05 -3.30045224665E-05 -3.42059413992E-05
 -3.54499268857E-05 -3.67379660107E-05 -3.80715974564E-05 -3.94524132870E-05
 -4.08820607939E-05 -4.23622444051E-05 -4.38947276605E-05 -4.54813352549E-05
 -4.71239551521E-05 -4.88245407712E-05 -5.05851132491E-05 -5.24077637803E-05
 -5.42946560380E-05 -5.62480286781E-05 -5.82701979303E-05 -6.03635602778E-05
 -6.25305952299E-05 -6.47738681898E-05 -6.70960334216E-05 -6.94998371198E-05
 -7.19881205834E-05 -7.45638235013E-05 -7.72299873490E-05 -7.99897589041E-05
 -8.28463938814E-05 -8.58032606942E-05 -8.88638443452E-05 -9.20317504509E-05
 -9.53107094051E-05 -9.87045806856E-05 -1.02217357309E-04 -1.05853170441E-04
 -1.09616294160E-04 -1.13511150392E-04 -1.17542314010E-04 -1.21714518112E-04
 -1.26032659479E-04 -1.30501804218E-04 -1.35127193610E-04 -1.39914250145E-04
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<PP_PSWFC>
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3P    1  6.00          Wavefunction
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