[Pw_forum] H 0.75 pseudopotential

Eduardo Ariel Menendez P emenendez at macul.ciencias.uchile.cl
Tue Jun 19 15:55:39 CEST 2007


Hi Paolo,
Would you better put the pseudo-H PP in the web site, please?
Cheers
Eduardo
>
> Dear Paolo,
>
> Could you send them to me, too ?
> I want to create another In PP with fractionary charge
> .
> So I think maybe I could try it from fellow this
> successful example.Or you could tell me what is
> keypoint to create such  PP with fractionary charge .
> Thanks in advance
>
> max
> Department of Physics ,National Taiwan
> University,Taiwan
> E-mail : D92222009 at ntu.edu.tw
>
> --- Paolo Giannozzi <giannozz at nest.sns.it> »¡¡G
>
> >
> > On Jun 18, 2007, at 10:30 , Marcello Rosini wrote:
> >
> > > It seems to me that ld1 cannot work with charge
> > <1... when running
> > > it says "wrong zed"... so I have two questions:
> > >     1. is this a limitation of ld1 or someone can
> > give me some help?
> >
> > no, it is just a check
> >
> > >     2. Does anybody can indicate me such a
> > pseudopotential?
> >
> > once upon a time I did some bogus H PP with
> > fractionary charge.
> > They were used with satisfactory results (by people
> > in your
> > department, by the way). I'll send them to you
> >
> > Paolo
> > ---



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