[Pw_forum] Energy mismatch in pw2casino

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Apr 15 13:24:34 CEST 2015


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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