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Program Q2R v.6.0 (svn rev. 13286) starts on 7Feb2017 at 14:36: 6
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);
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 2 processors
R & G space division: proc/nbgrp/npool/nimage = 2
reading grid info from file alas.dyn0
reading force constants from file alas.dyn1
macroscopic fields = T
13.74422 0.00000 -0.00000
-0.00000 13.74422 0.00000
-0.00000 0.00000 13.74422
na= 1
1.88265 -0.00000 -0.00000
-0.00000 1.88265 -0.00000
0.00000 0.00000 1.88265
na= 2
-3.23374 -0.00000 -0.00000
0.00000 -3.23374 -0.00000
-0.00000 -0.00000 -3.23374
nqs= 1
q= 0.00000000 0.00000000 0.00000000
reading force constants from file alas.dyn2
nqs= 8
q= -0.25000000 0.25000000 -0.25000000
q= 0.25000000 -0.25000000 0.25000000
q= 0.25000000 -0.25000000 -0.25000000
q= -0.25000000 0.25000000 0.25000000
q= -0.25000000 -0.25000000 0.25000000
q= 0.25000000 0.25000000 -0.25000000
q= 0.25000000 0.25000000 0.25000000
q= -0.25000000 -0.25000000 -0.25000000
reading force constants from file alas.dyn3
nqs= 4
q= 0.50000000 -0.50000000 0.50000000
q= -0.50000000 0.50000000 0.50000000
q= 0.50000000 0.50000000 -0.50000000
q= -0.50000000 -0.50000000 -0.50000000
reading force constants from file alas.dyn4
nqs= 6
q= 0.00000000 0.50000000 0.00000000
q= 0.00000000 0.00000000 -0.50000000
q= 0.00000000 -0.50000000 0.00000000
q= 0.00000000 0.00000000 0.50000000
q= 0.50000000 0.00000000 0.00000000
q= -0.50000000 0.00000000 0.00000000
reading force constants from file alas.dyn5
nqs= 24
q= 0.75000000 -0.25000000 0.75000000
q= -0.75000000 0.25000000 -0.75000000
q= -0.75000000 -0.25000000 -0.75000000
q= 0.75000000 0.25000000 0.75000000
q= 0.75000000 -0.75000000 0.25000000
q= -0.75000000 0.75000000 -0.25000000
q= -0.75000000 0.25000000 0.75000000
q= 0.75000000 -0.25000000 -0.75000000
q= 0.75000000 0.25000000 -0.75000000
q= -0.75000000 -0.25000000 0.75000000
q= 0.75000000 0.75000000 -0.25000000
q= -0.75000000 -0.75000000 0.25000000
q= -0.75000000 -0.75000000 -0.25000000
q= 0.75000000 0.75000000 0.25000000
q= -0.75000000 0.75000000 0.25000000
q= 0.75000000 -0.75000000 -0.25000000
q= -0.25000000 0.75000000 0.75000000
q= 0.25000000 -0.75000000 -0.75000000
q= 0.25000000 0.75000000 -0.75000000
q= -0.25000000 -0.75000000 0.75000000
q= -0.25000000 -0.75000000 -0.75000000
q= 0.25000000 0.75000000 0.75000000
q= 0.25000000 -0.75000000 0.75000000
q= -0.25000000 0.75000000 -0.75000000
reading force constants from file alas.dyn6
nqs= 12
q= 0.50000000 0.00000000 0.50000000
q= -0.50000000 0.00000000 -0.50000000
q= 0.50000000 -0.50000000 0.00000000
q= -0.50000000 0.00000000 0.50000000
q= 0.50000000 0.00000000 -0.50000000
q= 0.50000000 0.50000000 0.00000000
q= -0.50000000 -0.50000000 0.00000000
q= -0.50000000 0.50000000 0.00000000
q= 0.00000000 0.50000000 0.50000000
q= 0.00000000 0.50000000 -0.50000000
q= 0.00000000 -0.50000000 -0.50000000
q= 0.00000000 -0.50000000 0.50000000
reading force constants from file alas.dyn7
nqs= 3
q= 0.00000000 -1.00000000 0.00000000
q= 0.00000000 0.00000000 -1.00000000
q= -1.00000000 0.00000000 0.00000000
reading force constants from file alas.dyn8
nqs= 6
q= -0.50000000 -1.00000000 0.00000000
q= 0.00000000 1.00000000 -0.50000000
q= 0.00000000 1.00000000 0.50000000
q= 0.50000000 1.00000000 0.00000000
q= 0.00000000 -0.50000000 -1.00000000
q= 0.00000000 0.50000000 -1.00000000
q-space grid ok, #points = 64
fft-check success (sum of imaginary terms < 10^-12)
Q2R : 0.01s CPU 0.01s WALL
This run was terminated on: 14:36: 6 7Feb2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
|
