[Pw_forum] Energy mismatch in pw2casino

[Samuel Chang]

Dear Paolo,

Thanks for replying. I used casino2upf.x to convert casino tabulated PPs to
UPF format. But I don't think the problem comes from pseudopotentials
because the same error message can be reproduced with other PPs/functionals.

Best,
Samuel

On Wed, Apr 15, 2015 at 1:24 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it>
wrote:

> On Sun, 2015-04-12 at 17:59 +0200, Samuel Chang wrote:
>
> >  Error in routine pw2casino (1):
> >  Mismatch in computed energy
>
> >  H 1 H.UPF
>
> which pseudopotential are you using?
>
> P.
>
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
>
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