[Pw_forum] H 0.75 pseudopotential

陳 少華 chen_shao_hua197 at yahoo.com.tw
Mon Jun 18 16:04:32 CEST 2007


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> 說:

> 
> 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
> ---
> Paolo Giannozzi, Democritos and University of Udine,
> Italy
> 
> 
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