[Wien] structure minimization
Yundi Quan
quanyundi at gmail.com
Sun Sep 11 09:39:24 CEST 2011
Hi, All,
When I was doing structure minimization (a,b,c optimization), WIEN2k
generated 10 structure files. At the same time, I also turned on internal
structure minimization. Is this a good way of finding the structure with
minimal force? Or should I only turn on structure minization without turning
on internal structure minimization? Thanks a lot.
Yundi
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