[Wien] Individual energies

Dear all, We can determine total energy from *.scf file. But I don't know where can find individual energies for every atom. Please tell me how to determine individual energies (example Zn and S of ZnS). Thank you. Best regards, Tuan Vu ___ Wien mailing

[Wien] nband should be an integer

Dear Xavier Rocquefelte I have just modified as you said ... read(4,*) screened if ((screened .neqv. .true.) .and. (screened .neqv. .false.)) & stop 'error in case.inhf:

[Wien] nband should be an integer

Dear all, I am trying to do a full Hybrid calculation for ZnSe. 1. I calculated pbe and save_lapw 2. i executed init_hf_lapw 3. I got nband from scf file (:BAN) :BAN00018: 18 -0.234925 -0.215645 1. :BAN00019: 19 -0.217062 -0.211819 1. :BAN00020: 20 -0.215708 -0.210135 1.