[Pw_forum] Error in routine exx_n_plane_waves (1): you must initialize the grid first

[Paolo Giannozzi]

On Mon, Nov 30, 2015 at 2:06 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> Dear Anjali,
> as far as I know, you currently cannot do most of post-processing on top of
> exact-exchange (aka hybrid) functionals.
>

True, but I do not see any reason why PDOS shouldn't work with hybrid
functionals (and in fact it works for me, at least for a simple case)

Paolo


>
> kind regards
>
> On Monday, November 30, 2015 04:54:38 PM Anjali Singh wrote:
> > Hello Everyone,
> >
> > I am trying to do projrcted density of states (PDoS) calculation on the
> top
> > of HSE calculation which is giving me following error:
> >
> > *Error in routine exx_n_plane_waves (1): **you must initialize the grid
> > first*
> >
> > Can somebody help me in fixing this error?
> >
> > Regards,
> > Anjali Singh
> > PhD student
> > Material Theory Group
> > Theoretical Science Unit
> > Jawaharlal Nehru Centre for Advanced Scientific Research
> > Jakkur,Bangalore 560 064
> > India
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> +33 (0)1 44 275 084 / skype: paulatz
> http://www.impmc.upmc.fr/~paulatto/
> 23-24/4é16 Boîte courrier 115,
> 4 place Jussieu 75252 Paris Cédex 05
>
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-- 
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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