[Pw_forum] GIPAW and nosymm
Carlo Nervi
carlo.nervi at unito.it
Tue May 22 13:52:03 CEST 2012
Dear PW community,
using GIPAW, up to now, I always added 'nosym= .true.' to preliminar scf
calculations with Quantum espresso 4.3.2
Is the limitation still necessary for GIPAW calculations?
I'm doing calculations on a rather large system and symmetry could help
a lot. BTW, the new version QE 5.0 includes some improvements in this
respect?
Thanks,
Carlo
--
------------------------------------------------------------
Prof. Carlo Nervi carlo.nervi at unito.it Tel:+39 0116707507/8
Fax: +39 0116707855 - Dipartimento di Chimica, via
P. Giuria 7, 10125 Torino, Italy. http://lem.ch.unito.it/
More information about the users
mailing list