mirror of https://gitlab.com/QEF/q-e.git
55 lines
2.0 KiB
Plaintext
55 lines
2.0 KiB
Plaintext
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Program FERMI_VELOCITY v.6.5 starts on 22Jan2020 at 14:43:21
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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 & OpenMP), running on 1 processor cores
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Number of MPI processes: 1
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Threads/MPI process: 1
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MPI processes distributed on 1 nodes
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Reading input from mgb2.scf.in
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Reading xml data from directory:
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/home/kawamura/program/qe/qe-dev/tempdir/mgb2.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation= PBE
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( 1 4 3 4 0 0 0)
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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file Mg.pbe-n-kjpaw_psl.0.3.0.upf: wavefunction(s) 3S renormalized
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file B.pbe-n-kjpaw_psl.0.1.upf: wavefunction(s) 2P renormalized
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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Sum 1159 463 151 36773 9263 1619
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Check: negative core charge= -0.000006
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Number of bands : 8
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Number of k times spin : 210
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Number of symmetries : 24
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Lowest band which contains FS : 3
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Highest band which contains FS : 5
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Max : 1.49813968 Min : 0.00000000
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FERMI_VELOCI : 2.22s CPU 2.32s WALL
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This run was terminated on: 14:43:23 22Jan2020
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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