mirror of https://gitlab.com/QEF/q-e.git
57 lines
1.9 KiB
Plaintext
57 lines
1.9 KiB
Plaintext
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Program Q2R v.6.3 starts on 29Aug2018 at 11:16:58
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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 1 processors
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MPI processes distributed on 1 nodes
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reading grid info from file si.dyn0
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reading force constants from file si.dyn1
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macroscopic fields = T
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13.98349 -0.00000 0.00000
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-0.00000 13.98349 0.00000
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-0.00000 -0.00000 13.98349
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na= 1
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-0.23421 -0.00000 0.00000
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-0.00000 -0.23421 0.00000
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0.00000 -0.00000 -0.23421
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na= 2
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-0.23421 -0.00000 0.00000
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-0.00000 -0.23421 0.00000
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0.00000 0.00000 -0.23421
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Norm of the difference between old and new effective charges: 0.57369636801879420052
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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 si.dyn2
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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 si.dyn3
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nqs= 3
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q= 0.00000000 -1.00000000 0.00000000
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q= -1.00000000 0.00000000 0.00000000
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q= 0.00000000 0.00000000 1.00000000
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q-space grid ok, #points = 8
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fft-check success (sum of imaginary terms < 10^-12)
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Q2R : 0.00s CPU 0.00s WALL
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This run was terminated on: 11:16:58 29Aug2018
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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