Re: [Wien] GHOST BANDS error

I need some more information: Are you using wien23 or an earlier version ? What is your system (struct file), in particular what is atom 1; its RMT, ... Such a large EF is rather unusual (except for 5f systems) and for sure the resulting E-parameters as you showed below must lead to

[Wien] GHOST BANDS error

Dear Professor Blaha, I tried to run calculations for hybrid functionality from libxc, but I get a GHOST BANDS error. The case.scf2 file states that for atom 1 with l=1, the energy parameters need to be changed. :WARN : QTL-B value eq. 32.08 in Band of energy 1.68736 ATOM= 1 L= 1 :WARN : You