Virtual Crystal Approximation (VASP5.3.3)

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buchi25

Virtual Crystal Approximation (VASP5.3.3)

#1 Post by buchi25 » Wed Mar 06, 2013 9:00 am

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
Last edited by buchi25 on Wed Mar 06, 2013 9:00 am, edited 1 time in total.

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Virtual Crystal Approximation (VASP5.3.3)

#2 Post by admin » Wed Mar 06, 2013 12:42 pm

VCA is in 5.3.3 not implemented.
Last edited by admin on Wed Mar 06, 2013 12:42 pm, edited 1 time in total.

buchi25

Virtual Crystal Approximation (VASP5.3.3)

#3 Post by buchi25 » Wed Mar 06, 2013 1:04 pm

OK. Thanks!
Last edited by buchi25 on Wed Mar 06, 2013 1:04 pm, edited 1 time in total.

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