[Pw_forum] PWscf can not find out symmetry operations!!!

Yingli Niu niuyingli at gmail.com
Thu Aug 31 20:33:05 CEST 2006


>>*   Then I ran scf. I use Norm-Conserving PP and chose
*>*> ecutwfc=3D70,ecutrho=3D600.
*
>there is ABSOLUTELY no point in using ecutrho>ecutwfc with norm
>conserving PP's

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.

Best Wishes!

Yingli Niu
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