[Pw_forum] Re: Ga 3d core electrons as valence electrons (fhi2upf)

[Paolo Giannozzi]

On Thursday 25 September 2003 11:58, Lu Fu-Fa wrote:

> I should be noticed that the ouput of PW what they released at the
> beginning. The fhi2upf/PWscf only suit for lloc = 0, so I change my
> recipes of  elements(Ga, N) in fhi98PP, just use the defaults. That's all.

sorry, I don't understand: is the converter working properly?

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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