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 <[email protected]> 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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