mirror of https://gitlab.com/QEF/q-e.git
95 lines
3.5 KiB
Plaintext
95 lines
3.5 KiB
Plaintext
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Program ppacf v.6.4.1 starts on 7Jun2019 at 7:37:41
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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 2 processors
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 2
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entering subroutine acf ...
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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% %
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% You are using PPACF, please cite the following paper: %
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% %
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% Y. Jiao, E. Schr\"oder, and P. Hyldgaard, PRB 97, 085115 (2018). %
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% %
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% If you are using this code for hybrid mixing value, please also cite:%
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% %
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% Y. Jiao, E. Schr\"oder, and P. Hyldgaard, JCP 148, 194115 (2018). %
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% %
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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Reading data from directory:
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./atomns.save/
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Message from routine pw_read_schema:
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failed retrieving input info from xml file, please check it
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = PBE ( 1 4 3 4 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 444 444 132 28742 28742 4770
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Max 445 445 133 28751 28751 4775
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Sum 889 889 265 57493 57493 9545
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ACF coupling-constant Exc_lambda (Ry) E_c,lambda^LDA (Ry) E_c,lambda^GC (Ry)
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0.00000000 -12.71967254 0.00000000 0.00000000
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1.00000000 -15.00129518 -2.80467101 0.52304837
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Exchange -12.71967254 Ry
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Correlation -1.33690247 Ry
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Exchange + Correlation -14.05657501 Ry
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T_c^LDA 1.04807623 Ry
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.exlda
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.eclda
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.tclda
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.exgc
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.ecgc
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Calling punch_plot, plot_num = 2
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Writing data to file atomns.tcgc
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exiting subroutine acf ...
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ppacf : 0.77s CPU 1.14s WALL
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This run was terminated on: 7:37:42 7Jun2019
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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