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Virtual Crystal Approximation (VASP5.3.3)

Posted: Wed Mar 06, 2013 9:00 am
by buchi25
Dear all,

Does VASP5.3.3 support Virtual Crystal Approximation?
If not, is there an alternative way to treat the crystal whose sites are occupied by two or more element types?

Thanks

Virtual Crystal Approximation (VASP5.3.3)

Posted: Wed Mar 06, 2013 12:42 pm
by admin
VCA is in 5.3.3 not implemented.

Virtual Crystal Approximation (VASP5.3.3)

Posted: Wed Mar 06, 2013 1:04 pm
by buchi25
OK. Thanks!