[Wien] FERMI-Error during DOS calculation

[Peter Blaha]

We need more info for this error. Check *scf2, *error, *output2*

Do you still have the case.vectorhf files from the scf cycle ?
Or did you run a band structure in between ?

It is a metal ?

Am 26.09.2025 um 11:26 schrieb Rao Shruti Arya:
> Respected sir
> I get error during DOS calculation via hybrid functional YS-PBE0. While 
> doing calculation of DOS using x lapw2 - qtl - hf command I get an error 
> FERMI- Error. What should I do now. Please help me to solve the problem.
> Thankyou.
> 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: peter.blaha at tuwien.ac.at
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