mirror of https://gitlab.com/QEF/q-e.git
127 lines
4.7 KiB
Plaintext
127 lines
4.7 KiB
Plaintext
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Program Q2R v.6.2 (svn rev. 13952M) starts on 25Oct2017 at 21:25:33
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 4 processors
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 4
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reading grid info from file bn.disp.dyn0
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reading force constants from file bn.disp.dyn1
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macroscopic fields = T
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2.16599 0.00000 0.00000
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0.00000 2.16599 0.00000
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0.00000 0.00000 1.19221
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na= 1
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2.71348 0.00000 0.00000
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0.00000 2.71348 0.00000
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0.00000 0.00000 0.24303
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na= 2
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-2.72028 0.00000 0.00000
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0.00000 -2.72028 0.00000
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0.00000 0.00000 -0.24985
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nqs= 1
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q= 0.00000000 0.00000000 0.00000000
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reading force constants from file bn.disp.dyn2
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nqs= 6
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q= 0.00000000 0.14433757 0.00000000
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q= 0.00000000 -0.14433757 0.00000000
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q= -0.12500000 -0.07216878 0.00000000
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q= 0.12500000 0.07216878 0.00000000
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q= 0.12500000 -0.07216878 0.00000000
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q= -0.12500000 0.07216878 0.00000000
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reading force constants from file bn.disp.dyn3
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nqs= 6
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q= 0.00000000 0.28867514 0.00000000
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q= 0.00000000 -0.28867514 0.00000000
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q= -0.25000000 -0.14433757 0.00000000
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q= 0.25000000 0.14433757 0.00000000
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q= 0.25000000 -0.14433757 0.00000000
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q= -0.25000000 0.14433757 0.00000000
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reading force constants from file bn.disp.dyn4
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nqs= 6
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q= 0.00000000 0.43301270 0.00000000
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q= 0.00000000 -0.43301270 0.00000000
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q= -0.37500000 -0.21650635 0.00000000
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q= 0.37500000 0.21650635 0.00000000
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q= 0.37500000 -0.21650635 0.00000000
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q= -0.37500000 0.21650635 0.00000000
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reading force constants from file bn.disp.dyn5
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nqs= 3
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q= 0.00000000 -0.57735027 0.00000000
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q= 0.50000000 0.28867514 0.00000000
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q= -0.50000000 0.28867514 0.00000000
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reading force constants from file bn.disp.dyn6
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nqs= 6
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q= 0.12500000 0.21650635 0.00000000
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q= -0.12500000 0.21650635 0.00000000
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q= -0.12500000 -0.21650635 0.00000000
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q= 0.25000000 0.00000000 0.00000000
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q= -0.25000000 0.00000000 0.00000000
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q= 0.12500000 -0.21650635 0.00000000
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reading force constants from file bn.disp.dyn7
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nqs= 12
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q= 0.12500000 0.36084392 0.00000000
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q= -0.12500000 -0.36084392 0.00000000
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q= -0.12500000 0.36084392 0.00000000
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q= 0.12500000 -0.36084392 0.00000000
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q= -0.25000000 -0.28867514 0.00000000
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q= 0.25000000 0.28867514 0.00000000
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q= 0.37500000 -0.07216878 0.00000000
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q= -0.37500000 0.07216878 0.00000000
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q= -0.37500000 -0.07216878 0.00000000
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q= 0.37500000 0.07216878 0.00000000
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q= 0.25000000 -0.28867514 0.00000000
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q= -0.25000000 0.28867514 0.00000000
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reading force constants from file bn.disp.dyn8
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nqs= 12
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q= 0.12500000 0.50518149 0.00000000
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q= -0.12500000 -0.50518149 0.00000000
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q= -0.12500000 0.50518149 0.00000000
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q= 0.12500000 -0.50518149 0.00000000
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q= -0.37500000 -0.36084392 0.00000000
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q= 0.37500000 0.36084392 0.00000000
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q= 0.50000000 -0.14433757 0.00000000
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q= -0.50000000 0.14433757 0.00000000
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q= -0.50000000 -0.14433757 0.00000000
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q= 0.50000000 0.14433757 0.00000000
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q= 0.37500000 -0.36084392 0.00000000
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q= -0.37500000 0.36084392 0.00000000
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reading force constants from file bn.disp.dyn9
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nqs= 6
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q= 0.25000000 0.43301270 0.00000000
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q= -0.25000000 0.43301270 0.00000000
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q= -0.25000000 -0.43301270 0.00000000
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q= 0.50000000 0.00000000 0.00000000
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q= -0.50000000 0.00000000 0.00000000
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q= 0.25000000 -0.43301270 0.00000000
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reading force constants from file bn.disp.dyn10
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nqs= 6
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q= 0.25000000 0.57735027 0.00000000
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q= -0.25000000 0.57735027 0.00000000
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q= -0.37500000 -0.50518149 0.00000000
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q= 0.62500000 -0.07216878 0.00000000
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q= -0.62500000 -0.07216878 0.00000000
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q= 0.37500000 -0.50518149 0.00000000
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q-space grid ok, #points = 64
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fft-check warning: sum of imaginary terms = 4.344657E-06
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Q2R : 0.02s CPU 0.02s WALL
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This run was terminated on: 21:25:33 25Oct2017
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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