[Wien] maximum number of supercell atoms calculated in wien2k
Torsten Andersen
thor at physik.uni-kl.de
Fri Oct 17 12:47:53 CEST 2003
I believe it is 999 from Wien2k-03 and newer.
Best regards,
Torsten Andersen.
´äÓñ ¹¢ wrote:
> Dear all:
> can you tell me the maximum number of total atoms and the maximum
> number of inequivalent atoms in supercell that can be calculated in wien2k?
> Best regards
>
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--
Dr. Torsten Andersen TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/ http://www.physik.uni-kl.de/
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