Re: [Wien] [SPAM?] How to select the appropriate nband in hybrid functionals calculations

First of all: Setting nband to n_occupied + 1 works tecnically, but the results will NOT be converged. This was discussed numerous times. In principle nband should be tested, until eg. the gap is converged. Typically you need 10-50% more bands than n_occupied. Second: You get the DOS

[Wien] [SPAM?] How to select the appropriate nband in hybrid functionals calculations

Dear Wien2k developers?? When YS-PBE0 is used to calculate the DOS of pristine h-BN, the problem I encounter is that I don't know how to select the appropriate nband to obtain the DOS of energy window -20 eV ~ 20 eV. At first, I calculated the DOS of pristine h-BN using PBE96. The emin and