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Program ppacf v.6.4.1 starts on 7Jun2019 at 8:27:27
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 2 processors
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 2
entering subroutine acf ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% %
% You are using PPACF, please cite the following paper: %
% %
% Y. Jiao, E. Schr\"oder, and P. Hyldgaard, PRB 97, 085115 (2018). %
% %
% If you are using this code for hybrid mixing value, please also cite:%
% %
% Y. Jiao, E. Schr\"oder, and P. Hyldgaard, JCP 148, 194115 (2018). %
% %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Reading data from directory:
./atomns.save/
IMPORTANT: XC functional enforced from input :
Exchange-correlation = VDW-DF-CX ( 1 4 27 0 1 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 444 444 132 28742 28742 4770
Max 445 445 133 28751 28751 4775
Sum 889 889 265 57493 57493 9545
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% %
% You are using vdW-DF, which was implemented by the Thonhauser group. %
% Please cite the following two papers that made this development %
% possible and the two reviews that describe the various versions: %
% %
% T. Thonhauser et al., PRL 115, 136402 (2015). %
% T. Thonhauser et al., PRB 76, 125112 (2007). %
% K. Berland et al., Rep. Prog. Phys. 78, 066501 (2015). %
% D.C. Langreth et al., J. Phys.: Condens. Matter 21, 084203 (2009). %
% %
% %
% If you are calculating the stress with vdW-DF, please also cite: %
% %
% R. Sabatini et al., J. Phys.: Condens. Matter 24, 424209 (2012). %
% %
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
ACF coupling-constant Exc_lambda (Ry) E_c,lambda^LDA (Ry) E_c,lambda^nl (Ry)
0.00000000 -12.42812297 0.00000000 0.00000000
1.00000000 -14.97792096 -2.80295714 0.25315915
Ec_nl(n_1/lambda):
1.00000000 0.14797433
Exchange -12.42812297 Ry
LDA Exchange -12.15999739 Ry
Correlation -1.60767643 Ry
LDA Correlation -1.75565076 Ry
E_c^nl 0.14797433 Ry
Exchange + Correlation -14.03579940 Ry
T_c^LDA 1.04730638 Ry
T_c^nl -0.10518483 Ry
Kinetic-correlation Energy 0.94212156 Ry
Non-local energy : 0.147974325489263
Summation of ecnl: 0.147974325489261
Summation of tcnl: -0.105184821862103
Calling punch_plot, plot_num = 2
Writing data to file atomns.exlda
Calling punch_plot, plot_num = 2
Writing data to file atomns.eclda
Calling punch_plot, plot_num = 2
Writing data to file atomns.tclda
Calling punch_plot, plot_num = 2
Writing data to file atomns.exgc
Calling punch_plot, plot_num = 2
Writing data to file atomns.ecnl
Calling punch_plot, plot_num = 2
Writing data to file atomns.tcnl
Calling punch_plot, plot_num = 2
Writing data to file atomns.vcnl
exiting subroutine acf ...
ppacf : 1.88s CPU 2.40s WALL
This run was terminated on: 8:27:30 7Jun2019
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
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