[Pw_forum] orbital charge density plot from hybrid calculation

Junhyeok Bang bangj at rpi.edu
Wed Apr 10 15:44:32 CEST 2013


Yes. I did compile using same make.sys (including "-DEXX" flag). For you r
information, my version is v4.3.2.

Thank you.

Junhyeok Bang.


On Wed, Apr 10, 2013 at 4:34 AM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> 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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