[Wien] Meta-GGA
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Sat Jun 26 05:49:31 CEST 2004
> Is init_lapw setup to generate everything for the Meta-GGA options (I'm
> having some problems getting them started)?
No, in init_lapw you cannot select meta-GGAs.
Please use help_lapw and search for meta-gga to find the relevant notes
for it. (PS: It is numerically quite unstable. You need GMAX=24)
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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