[Pw_forum] Problem with Pseudopotentials and Input Information

Paolo Giannozzi giannozz at democritos.it
Sat Sep 8 09:43:33 CEST 2012


On Aug 31, 2012, at 22:55 , Matthew M Montemore wrote:

> I just wanted to make the community aware of this issue and help out
> anyone having similar problems.

your help is very much appreciated. It will be even more appreciated
if you provide an example of a pseudopotential that works if you
remove the input data section (<PP_INPUT> ... </PP_INPUT> I guess),
doesn't work as is (please also provide you definition of "doesn't  
work":
yields an error while reading the pseudopotential file?). I hadn't  
checked
if the pseudopotentials with the new input information actually work,  
but
I don't see any reason why they shouldn't (and the only one I just tried
seems to have no problem)

Paolo
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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