mirror of https://gitlab.com/QEF/q-e.git
43 lines
1.6 KiB
Plaintext
43 lines
1.6 KiB
Plaintext
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Program Q2R v.7.1 starts on 5Oct2022 at 12: 6:25
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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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"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
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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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11245 MiB available memory on the printing compute node when the environment starts
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reading grid info from file bn.dyn0.xml
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reading force constants from file bn.dyn1
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Norm of the difference between old and new effective charges: 0.16477997695886803520
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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.dyn2
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nqs= 3
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q= 0.00000000 -0.57735027 0.00000000
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q= 0.50000000 0.28867513 0.00000000
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q= -0.50000000 0.28867513 0.00000000
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q-space grid ok, #points = 4
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fft-check warning: sum of imaginary terms = 7.932108E-12
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Q2R : 0.00s CPU 0.01s WALL
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This run was terminated on: 12: 6:25 5Oct2022
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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