[Pw_forum] Band Structure Calculation stops after certain number of computing kpts

Karim Elgammal egkarim at gmail.com
Tue Aug 19 15:08:58 CEST 2014


for disk_io I can't alter it to 'high' as a requirement form system
administrator.
I think both options can't interfere with each other.
I didn't try rw86. and I think that is OK to have vdW DF2 on top of PBE
pseudopotentials.

Yours;
Karim.
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