[Wien] too large kpoints and nonscf calculations

attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110226/15c03b60/attachment.htm>

[Wien] too large kpoints and nonscf calculations

I need your struct file (to private email), then I might be able to help withx kgen. We do not know, what you want to get out from your non-scf calculation. If you need a good DOS, you would do after the firt scf run: x kgen x lapw1 x lapw2 -qtl x tetra Am 26.02.2011 12:36, schrieb guoh

[Wien] too large kpoints and nonscf calculations

hinese Academy of Sciences > 72 Wenhua Road,Shenyang 110016, China > > > +86-15140243901 (mobile) > work: hhguo at imr.ac.cn > > > ------ next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110226/ac1df2c2/attachment.htm>