[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/



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