[Pw_forum] H 0.75 pseudopotential

Paolo Giannozzi giannozz at nest.sns.it
Mon Jun 18 11:23:10 CEST 2007


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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