[Pw_forum] ambiguous results with vc-relax
jiachen at princeton.edu
Tue Aug 24 20:51:17 CEST 2010
sorry for interrupting you guys, I didn't follow the whole post before.
Pressure calculations need very high ecutoff. And,according to my
experience, vc-relax is supposed to be slow. So, I usually avoid vc-relax if
possible... Last but not least, I am a student, maybe very wrong. Have a
Dept of Chemistry
Princeton, NJ 08544
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