[QE-users] restarting a noncolinear calculation LSDA potential: not possible with PAW?

[Paolo Giannozzi]

On Thu, Oct 11, 2018 at 1:12 PM Christoph Wolf <wolf.christoph at qns.science>
wrote:


> *     Error in routine read_scf (1):     Reading PAW becsum*
>
> When changing PAW to NC pseudos it only throws the usual warning:
>
>
> *     Message from routine read_rhog:     some spin components not found*
>
> Is this a bug or expected for PAW pseudos?
>

neither: nobody ever considered this case with PAW (USPP instead should
work: see PP/examples/ForceTheorem_examplecase)

Paolo
-- 
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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