Re: [Wien] Query about HSE06

2021-10-01 Thread shamik chakrabarti
Dear Prof. Tran, The files case.klist_ibz and case.klist_fbz contains only one-k -point & the calculation is running properly. Thank you so much for your advice. with regards, On Fri, 1 Oct 2021 at 12:57, Tran, Fabien wrote: > To be sure that the files related to

Re: [Wien] Query about HSE06

2021-10-01 Thread Tran, Fabien
To be sure that the files related to the k-mesh are ok, generate them again with the command "run_kgenhf_lapw". Choose 1 k-point to make the test calculation faster. The files case.klist_ibz and case.klist_fbz should be the same and list only one-k -point. Importantly, execute "save_lapw" and