Dear Anjali, I had also suffered from same error. I was using the following ultrasoft pesudopotentials (PPs): ba_pbe_v1.uspp.F.UPF (for Ba) and f_pbe_v1.4.uspp.F.UPF (for F). But I have just managed to sort out the problem after simply replacing them with: Ba.pz-hgh.UPF (for Ba) and F.pz-hgh.UPF (for F) By the way I simply modified and used the EXX script provided in the EXX-example package of QE v.5.2.0. As I have little experience with the technicalities, I have no idea why the problem was ruled out simply by exchanging different types of PPs. Regards, Mohammed Khalafalla Assistant Prof Taybah University Physics department (Yanbu Branch) Saudi Arabia, Yanbu
>* 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*
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