[Pw_forum] problem with vc-relax

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue Jun 24 17:25:58 CEST 2014


On Tue, 2014-06-24 at 19:47 +0600, Khalid Ibne Masood Khalid wrote:

>      Error in routine stop_exx (1):
>      dft is not hybrid, wrong call

remove line
            exxdiv_treatment = 'gygi-baldereschi'
it is meaningless except for hybrid functionals

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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