[Wien] charge cell

chin Sabsu chinsabsu at yahoo.in
Sun Dec 10 23:33:19 CET 2017


Dear Peter Sir,
On faq you mentioned the steps for the charged case only for simple scf without min_lapw. If I do not relax the structure then there are forces. If I fo min_lapw then after save_lapw neut._case  next min_lapw do not run as the structure is already relaxed.
Do the forces are okay? if not then how to do min_lapw in the second step after save_lapw?

SincerelyChin
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