[Pw_forum] OPIUM pp *.ncpp files error in pw.x to Prof. Paolo Giannozzi
Paolo Giannozzi
giannozz at democritos.it
Tue Sep 2 10:55:27 CEST 2008
明文美 wrote:
> thanks for you kind reply, actually I want to calculate
> electron-interaction in metallic ZrNi2Ga,
> but ultrasoft pseudopotential yields somewhat bad results
any evidence that the "somewhat bad results" are due to the
pseudopotentials?
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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