My Community

Posted: **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

Posted: **Wed Jun 06, 2007 7:46 am**

please have a look in the online handbook, keywords
NELECT
IDIPOL, DIPOL and LDIPOL

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