[Wien] NR2V

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Jun 19 17:55:57 CEST 2010


Who is talking about lapw1 ??

It is in lapw0 and the inputfile is case.in0

John Rundgren schrieb:
> Dear Professor Blaha et al,
> How is "default NR2V" modified into "default R2V" in program lapw1, so
> that vcoul is  written out without manual intervention before run SCF?
> With thanks,
> John
> 
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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