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

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon Nov 30 14:06:20 CET 2015


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

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/
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