[Pw_forum] Why my generated pp doesn't contain the information of number of Q-function(nqf)?

Yue-Wen Fang yuewen.fang at gmail.com
Mon Aug 6 17:06:16 CEST 2012


Dear Sir, I mean that can we create  norm-conserving pp using ld1.x?


> > Dear Dr. Axel,
> >
> >    You said ld1.x cannot generate van-style ultrasoft pseudopotential,
> but
> > can ld1.x generate van-style norm-conserving pseudopotential? I think
> ld1.x
> > can't make it.
>
> i don't understand what you are asking here.
>
> there is a difference between multi-projector
> norm-conserving pseudopotentials and
> vanderbilt style ultra-soft potentials. that
> being said, there is nothing inherently
> bad about rrkj ultrasofts.
>
> axel.
>
>
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