Supercell ??? As far as I know, GWW is ONLY for gamma-point calculations. So if you are studying finite molecules, only relevant parameter is the vacuum distance.
For periodic systems, you can try YAMBO (http://www.yambo-code.org) to obtain quasi-particle energies and band structure.... Regards, On Sat, Oct 23, 2010 at 5:35 PM, shudong wang <sd.wang000 at gmail.com> wrote: > Dear developers: > I confused about the size of supercell in GWW calculations. What the > supercell should I use,2x2x2 or 3x3x3 ....? Does it must be used in the GWW? > > > Thanks in advance! > > S. D. Wang > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Mehmet Topsakal (Ph.D. Student) UNAM-Institute of Materials Science and Nanotechnology. Bilkent University. 06800 Bilkent, Ankara/T?rkiye Tel: 0090 312 290 3527 ; Fax: 0090 312 266 4365 UNAM-web : www.nano.org.tr -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101023/d16d4921/attachment.htm
