[QE-users] Norm Conserving PP in Supercell

[Paolo Giannozzi]

Compare the scf and nscf results for the two sets of pseudopotentials, look
for something suspicious?

Paolo

On Sat, Aug 22, 2020 at 5:24 PM Fariba Islam <ezqhaz at gmail.com> wrote:

> Dear all,
> I have written a code for supercell and used ONCV PP. The SCF calculation
> converges but nscf calculation does not converge. When I change the pp and
> use USPP the both scf and nscf calculation runs smoothly. But for epsilon.x
> postprocessing I need ONCV. What should I do to solve this problem?
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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