[Pw_forum] Error while using Mg PAW potential given on website

Paolo Giannozzi giannozz at democritos.it
Wed Mar 14 19:25:25 CET 2012


On Mar 14, 2012, at 13:00 , Jonathan Trinastic wrote:

> I'm wondering if anyone has had problems using the Mg PAW potential  
> (Mg.pbe-nsp-bpaw.UPF) listed on the QE website?  When I use it, I  
> receive the error
>
> from read_ncpp: error # 1
> Wrong nlc or nnl

It works for me. "read_ncpp" is the routine that reads the (obsolete)  
norm-conserving
pseudopotential format and should not be called in this case. You  
should first of all
understand why it is called (routine "read_pp" in "Modules/ 
read_pseudo.f90")

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







More information about the users mailing list