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/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
