[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
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