[Wien] delimit
Peter Blaha
pblaha at theochem.tuwien.ac.at
Tue Sep 19 22:52:48 CEST 2006
Update to the newest version.
> Dear wien users
> I am working on the big molecule Amino Acid using supercell approximation.
> The supercell parameters are a=b=c=25 Angstrom and the number of atoms
> in the supercell : 90 atoms.
> but i have a problem !
> In the case.outputd file the maximum plane waves is 999999 . can i
> increase this limit?
> best regards.
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>
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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