Dear qe user
I'm repeating the example provided by qe-6.7/GWW/example02, in step 2, head.x
can't operate properly. head.out show that:
Program PHONON v.6.7MaX starts on 20Mar2021 at 14:40:36
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 4
processors
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage
= 4
Ultrasoft (Vanderbilt) Pseudopotentials
Reading xml data from directory:
/lustre/home/rencong/qe-6.7/tempdir/si.save/
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PZ
( 1 1 0
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 124
124 36
2096 2096 340
Max 125
125 37
2097 2097 343
Sum 497
497 145
8385 8385 1365
Reading collected, re-writing distributed wavefunctions
Message from routine ph_restart_set_filename :
cannot open file for reading or writing
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine initialize_grid_variables (1):
problems reading u
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
