[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
More information about the users
mailing list