mirror of https://gitlab.com/QEF/q-e.git
95 lines
4.8 KiB
Plaintext
95 lines
4.8 KiB
Plaintext
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Program BANDS v.7.0 starts on 15Feb2022 at 14:21:26
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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 1 processors
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MPI processes distributed on 1 nodes
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3256 MiB available memory on the printing compute node when the environment starts
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Reading xml data from directory:
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/home/paulatto/espresso/tempdir/silicon.save/
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EXX fraction changed: 0.25
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EXX Screening parameter changed: 0.1060000
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation= HSE
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( 1 4 12 4 0 0 0)
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EXX-fraction = 0.25
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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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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 253 253 121 2733 2733 821
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Using Slab Decomposition
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Reading collected, re-writing distributed wavefunctions
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high-symmetry point: -0.2500 0.2500 0.2500 x coordinate 0.0000
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high-symmetry point: 0.2500-0.2500 0.7500 x coordinate 0.8660
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high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 1.6952
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high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 2.5612
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high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 3.5612
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high-symmetry point: 1.0000 1.0000 0.0000 x coordinate 3.5612
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high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 4.9754
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high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 4.9754
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high-symmetry point: -0.5000 0.5000-0.5000 x coordinate 5.8414
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high-symmetry point: -0.5000 1.5000-0.5000 x coordinate 6.8414
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high-symmetry point: 0.5000 1.5000-0.5000 x coordinate 6.8414
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high-symmetry point: -0.5000 0.5000-0.5000 x coordinate 8.2557
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high-symmetry point: 1.0000 1.0000 1.0000 x coordinate 8.2557
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high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 9.1217
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high-symmetry point: 0.5000 1.5000 0.5000 x coordinate 10.1217
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high-symmetry point: 1.5000 1.5000 0.5000 x coordinate 10.1217
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high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 11.5359
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high-symmetry point: 0.5000 1.5000 0.5000 x coordinate 11.5359
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high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 12.4019
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high-symmetry point: 0.0000 2.0000 0.0000 x coordinate 13.4019
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high-symmetry point: 1.0000 2.0000 0.0000 x coordinate 13.4019
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high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 14.8161
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high-symmetry point: 0.0000 0.0000 1.0000 x coordinate 14.8161
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high-symmetry point: -0.5000-0.5000 0.5000 x coordinate 15.6822
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high-symmetry point: -0.5000 0.5000 0.5000 x coordinate 16.6822
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high-symmetry point: 0.5000 0.5000 0.5000 x coordinate 16.6822
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high-symmetry point: -0.5000-0.5000 0.5000 x coordinate 18.0964
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high-symmetry point: -0.5000 0.5000 0.5000 x coordinate 18.0964
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high-symmetry point: -1.0000 0.0000 0.0000 x coordinate 18.9624
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high-symmetry point: -1.0000 1.0000 0.0000 x coordinate 19.9624
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high-symmetry point: 0.0000 1.0000 0.0000 x coordinate 19.9624
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high-symmetry point: -1.0000 0.0000 0.0000 x coordinate 21.3766
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high-symmetry point: 0.5000 0.5000 1.5000 x coordinate 21.3766
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high-symmetry point: 0.0000 0.0000 1.0000 x coordinate 22.2426
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high-symmetry point: 0.0000 1.0000 1.0000 x coordinate 23.2426
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high-symmetry point: 1.0000 1.0000 1.0000 x coordinate 23.2426
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high-symmetry point: 0.0000 0.0000 1.0000 x coordinate 24.6569
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high-symmetry point: 0.0000 1.0000 1.0000 x coordinate 24.6569
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high-symmetry point: -0.5000 0.5000 0.5000 x coordinate 25.5229
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high-symmetry point: -0.5000 1.5000 0.5000 x coordinate 26.5229
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high-symmetry point: 0.5000 1.5000 0.5000 x coordinate 26.5229
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high-symmetry point: -0.5000 0.5000 0.5000 x coordinate 27.9371
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Plottable bands (eV) written to file sibands.dat.gnu
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Bands written to file sibands.dat
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BANDS : 0.42s CPU 0.52s WALL
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This run was terminated on: 14:21:27 15Feb2022
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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