1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
|
Program ppacf v.6.4.1 starts on 7Jun2019 at 7:37:41
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/
Message from routine pw_read_schema:
failed retrieving input info from xml file, please check it
IMPORTANT: XC functional enforced from input :
Exchange-correlation = PBE ( 1 4 3 4 0 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
ACF coupling-constant Exc_lambda (Ry) E_c,lambda^LDA (Ry) E_c,lambda^GC (Ry)
0.00000000 -12.71967254 0.00000000 0.00000000
1.00000000 -15.00129518 -2.80467101 0.52304837
Exchange -12.71967254 Ry
Correlation -1.33690247 Ry
Exchange + Correlation -14.05657501 Ry
T_c^LDA 1.04807623 Ry
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.ecgc
Calling punch_plot, plot_num = 2
Writing data to file atomns.tcgc
exiting subroutine acf ...
ppacf : 0.77s CPU 1.14s WALL
This run was terminated on: 7:37:42 7Jun2019
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
|
