mirror of https://gitlab.com/QEF/q-e.git
74 lines
2.7 KiB
Plaintext
74 lines
2.7 KiB
Plaintext
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Program KC_PP_Self-Hartree v.7.1 starts on 31Aug2022 at 8:55:15
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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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697 MiB available memory on the printing compute node when the environment starts
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INFO: Reading pwscf data
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Reading xml data from directory:
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/home/nicola/Scrivania/CODES/git/q-e-kcw/tempdir/Si.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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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 73 73 22 821 821 152
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Max 74 74 23 823 823 153
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Sum 295 295 91 3287 3287 609
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Using Slab Decomposition
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Reading collected, re-writing distributed wavefunctions
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INFO: Coulomb q+G=0 treatment:
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INFO: Divergence none
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INFO: q-grid dimension 2 2 2
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INFO: cell volume 270.256360799503
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INFO: Gamma Extrapolation F
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INFO: extrapolation q->0 term not estimated
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INFO: Bare Coulomb q+G=0 0.00000E+00
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INFO: READING Wannier-orbital Densities ...
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INFO: READING Wannier-orbital Densities ... DONE
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INFO: WANNIER orbital SH
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orb, Self hartree 1 0.274422
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orb, Self hartree 2 0.274422
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orb, Self hartree 3 0.274422
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orb, Self hartree 4 0.274422
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orb, Self hartree 5 0.095359
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orb, Self hartree 6 0.095359
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orb, Self hartree 7 0.095359
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orb, Self hartree 8 0.095359
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KC_PP_Self-H : 0.09s CPU 0.11s WALL
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This run was terminated on: 8:55:15 31Aug2022
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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