[Pw_forum] orbital charge density plot from hybrid calculation

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Apr 10 10:34:52 CEST 2013


On Tue, 2013-04-09 at 18:33 -0400, Junhyeok Bang wrote:

> The compiled pp.x works for pbe functional calculations. However, it
> does not work for pbe0 calculations giving below error message [...]

did you compile also pp.x for hybrid functionals (-DEXX)? 
(it is no longer needed for v.5 and later)

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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