mirror of https://gitlab.com/QEF/q-e.git
78 lines
2.4 KiB
Plaintext
78 lines
2.4 KiB
Plaintext
|
|
Program PW2BGW v.6.2 (svn rev. 14038) starts on 17Jan2018 at 7:49:49
|
|
|
|
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 & OpenMP), running on 4 processor cores
|
|
Number of MPI processes: 4
|
|
Threads/MPI process: 1
|
|
|
|
MPI processes distributed on 1 nodes
|
|
K-points division: npool = 2
|
|
band groups division: nbgrp = 2
|
|
|
|
Reading data from directory:
|
|
./si.save/
|
|
|
|
IMPORTANT: XC functional enforced from input :
|
|
Exchange-correlation = PZ ( 1 1 0 0 0 0)
|
|
Any further DFT definition will be discarded
|
|
Please, verify this is what you really want
|
|
|
|
|
|
G-vector sticks info
|
|
--------------------
|
|
sticks: dense smooth PW G-vecs: dense smooth PW
|
|
Sum 649 649 199 11017 11017 1917
|
|
|
|
|
|
NLCC is absent
|
|
|
|
call write_wfng
|
|
done write_wfng
|
|
|
|
call write_vxcg
|
|
done write_vxcg
|
|
|
|
call write_vxc0
|
|
done write_vxc0
|
|
|
|
call write_vxc_g
|
|
done write_vxc_g
|
|
|
|
call write_vscg
|
|
done write_vscg
|
|
|
|
call write_vkbg
|
|
done write_vkbg
|
|
|
|
call write_rhog
|
|
done write_rhog
|
|
|
|
|
|
write_wfng : 0.13s CPU 0.16s WALL ( 1 calls)
|
|
write_rhog : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
write_vxcg : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
write_vxc0 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
write_vxc_g : 0.55s CPU 0.56s WALL ( 1 calls)
|
|
write_vscg : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
write_vkbg : 0.03s CPU 0.09s WALL ( 1 calls)
|
|
|
|
Called by write_wfng:
|
|
real_wfng : 0.02s CPU 0.02s WALL ( 29 calls)
|
|
|
|
PW2BGW : 0.83s CPU 1.35s WALL
|
|
|
|
|
|
This run was terminated on: 7:49:50 17Jan2018
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|