non-zero charge calculation--like (Au)8cluster with 2+ charge

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dido
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non-zero charge calculation--like (Au)8cluster with 2+ charge

#1 Post by dido » Mon Jun 04, 2007 2:24 pm

Hi, everyone, just wondering if VASP is capable of doing this kind of calculation--like a metal cluster with non-zero charge?

Thanks a lot
Last edited by dido on Mon Jun 04, 2007 2:24 pm, edited 1 time in total.
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admin
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non-zero charge calculation--like (Au)8cluster with 2+ charge

#2 Post by admin » Wed Jun 06, 2007 7:46 am

please have a look in the online handbook, keywords
NELECT
IDIPOL, DIPOL and LDIPOL
Last edited by admin on Wed Jun 06, 2007 7:46 am, edited 1 time in total.
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