[Pw_forum] PWscf can not find out symmetry operations!!!
niuyingli at gmail.com
Thu Aug 31 20:33:05 CEST 2006
>>* Then I ran scf. I use Norm-Conserving PP and chose
>there is ABSOLUTELY no point in using ecutrho>ecutwfc with norm
I found that sometimes increasing ecutrho will make the acoustic
phonons at (0,0,0)
close to 0. So, I didn't use the default value ecutrho = 4* ecutwfc.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users