[Wien] Meta-GGA

Javad Hashemifar s_javad at yahoo.com
Thu Jun 24 16:23:43 CEST 2004


> Is init_lapw setup to generate everything for the Meta-GGA options (I'm
> having some problems getting them started)?

Hello
I am not sure but I think the Meta-GGA can not be used from initialization and
it should be applied after a self consistent GGA calculation.

Regards.

Javad Hashemifar

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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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