[Pw_forum] volume optimization
berber mo
berbermohamed at yahoo.fr
Thu Feb 2 22:29:02 CET 2012
I work on wien2k 8 and i have problem with volume optimization .
I would like to know in detail how to optimize the volume
a =15.95 u.a b = 19.53 u.a c =15.95 u.a
alpha=90 ° beta =90 ° gamma =144.73 °
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