mirror of https://gitlab.com/QEF/q-e.git
120 lines
4.4 KiB
Plaintext
120 lines
4.4 KiB
Plaintext
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Program Q2R v.6.0 (svn rev. 13286) starts on 7Feb2017 at 14: 1:45
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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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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 2 processors
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R & G space division: proc/nbgrp/npool/nimage = 2
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reading grid info from file alas.dyn0
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reading force constants from file alas.dyn1
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macroscopic fields = T
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13.74422 0.00000 -0.00000
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-0.00000 13.74422 0.00000
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-0.00000 0.00000 13.74422
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na= 1
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1.88265 -0.00000 -0.00000
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-0.00000 1.88265 -0.00000
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0.00000 0.00000 1.88265
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na= 2
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-3.23374 -0.00000 -0.00000
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0.00000 -3.23374 -0.00000
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-0.00000 -0.00000 -3.23374
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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 alas.dyn2
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nqs= 8
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q= -0.25000000 0.25000000 -0.25000000
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q= 0.25000000 -0.25000000 0.25000000
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q= 0.25000000 -0.25000000 -0.25000000
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q= -0.25000000 0.25000000 0.25000000
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q= -0.25000000 -0.25000000 0.25000000
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q= 0.25000000 0.25000000 -0.25000000
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q= 0.25000000 0.25000000 0.25000000
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q= -0.25000000 -0.25000000 -0.25000000
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reading force constants from file alas.dyn3
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nqs= 4
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q= 0.50000000 -0.50000000 0.50000000
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q= -0.50000000 0.50000000 0.50000000
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q= 0.50000000 0.50000000 -0.50000000
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q= -0.50000000 -0.50000000 -0.50000000
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reading force constants from file alas.dyn4
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nqs= 6
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q= 0.00000000 0.50000000 0.00000000
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q= 0.00000000 -0.50000000 0.00000000
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q= 0.00000000 0.00000000 0.50000000
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q= 0.00000000 0.00000000 -0.50000000
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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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reading force constants from file alas.dyn5
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nqs= 24
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q= 0.75000000 -0.25000000 0.75000000
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q= -0.75000000 0.25000000 -0.75000000
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q= -0.75000000 -0.75000000 -0.25000000
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q= 0.75000000 0.75000000 0.25000000
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q= -0.75000000 0.75000000 0.25000000
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q= 0.75000000 -0.75000000 -0.25000000
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q= -0.75000000 0.25000000 0.75000000
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q= 0.75000000 -0.25000000 -0.75000000
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q= 0.75000000 0.25000000 -0.75000000
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q= -0.75000000 -0.25000000 0.75000000
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q= 0.75000000 0.75000000 -0.25000000
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q= -0.75000000 -0.75000000 0.25000000
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q= 0.75000000 -0.75000000 0.25000000
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q= -0.75000000 0.75000000 -0.25000000
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q= -0.25000000 0.75000000 0.75000000
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q= 0.25000000 -0.75000000 -0.75000000
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q= 0.25000000 0.75000000 -0.75000000
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q= -0.25000000 -0.75000000 0.75000000
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q= -0.25000000 -0.75000000 -0.75000000
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q= 0.25000000 0.75000000 0.75000000
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q= 0.25000000 -0.75000000 0.75000000
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q= -0.25000000 0.75000000 -0.75000000
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q= -0.75000000 -0.25000000 -0.75000000
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q= 0.75000000 0.25000000 0.75000000
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reading force constants from file alas.dyn6
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nqs= 12
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q= 0.50000000 0.00000000 0.50000000
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q= -0.50000000 -0.50000000 0.00000000
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q= -0.50000000 0.50000000 0.00000000
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q= -0.50000000 0.00000000 0.50000000
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q= 0.50000000 0.00000000 -0.50000000
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q= 0.50000000 0.50000000 0.00000000
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q= 0.50000000 -0.50000000 0.00000000
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q= 0.00000000 0.50000000 0.50000000
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q= 0.00000000 0.50000000 -0.50000000
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q= 0.00000000 -0.50000000 -0.50000000
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q= 0.00000000 -0.50000000 0.50000000
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q= -0.50000000 0.00000000 -0.50000000
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reading force constants from file alas.dyn7
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nqs= 3
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q= 0.00000000 -1.00000000 0.00000000
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q= 0.00000000 0.00000000 -1.00000000
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q= -1.00000000 0.00000000 0.00000000
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reading force constants from file alas.dyn8
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nqs= 6
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q= -0.50000000 -1.00000000 0.00000000
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q= 0.50000000 1.00000000 0.00000000
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q= 0.00000000 -1.00000000 -0.50000000
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q= 0.00000000 1.00000000 0.50000000
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q= 0.00000000 -0.50000000 -1.00000000
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q= 0.00000000 0.50000000 1.00000000
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q-space grid ok, #points = 64
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fft-check success (sum of imaginary terms < 10^-12)
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Q2R : 0.01s CPU 0.01s WALL
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This run was terminated on: 14: 1:45 7Feb2017
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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