mirror of https://gitlab.com/QEF/q-e.git
55 lines
2.0 KiB
Plaintext
55 lines
2.0 KiB
Plaintext
|
|
Program POST-PROC v.6.0 (svn rev. 13286) starts on 7Feb2017 at 15:35:53
|
|
|
|
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);
|
|
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
|
|
R & G space division: proc/nbgrp/npool/nimage = 2
|
|
|
|
Reading data from directory:
|
|
/home/pietro/espresso-svn/tempdir/AlAs110.save
|
|
|
|
Info: using nr1, nr2, nr3 values from input
|
|
|
|
Info: using nr1, nr2, nr3 values from input
|
|
|
|
IMPORTANT: XC functional enforced from input :
|
|
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 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 174 174 54 12296 12296 2232
|
|
Max 175 175 55 12311 12311 2237
|
|
Sum 349 349 109 24607 24607 4469
|
|
|
|
|
|
Calling punch_plot, plot_num = 5
|
|
Use the true wfcs
|
|
Sample bias = 1.0000 eV
|
|
|
|
STM: 0.06s cpu time
|
|
Writing data to file AlAsresm+1.0
|
|
Reading data from file AlAsresm+1.0
|
|
|
|
Writing data to be plotted to file AlAs110+1.0
|
|
Min, Max, imaginary charge: 0.000001 0.000525 0.000000
|
|
Plot Type: 2D contour Output format: plotrho.x
|
|
|
|
POST-PROC : 0.52s CPU 0.53s WALL
|
|
|
|
|
|
This run was terminated on: 15:35:53 7Feb2017
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|