[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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