vasp 5.2.2 segfaults for hybrid functionals

Problems running VASP: crashes, internal errors, "wrong" results.


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hkw09
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vasp 5.2.2 segfaults for hybrid functionals

#1 Post by hkw09 » Fri Sep 11, 2009 8:33 am

Hi,

I'm having a problem in hybrid-type calculation. I have a NiO slab, and I set

LHFCALC = .TRUE.
HFSCREEN = 0.2
AEXX = 0.25

ISPIN = 2

It gives a segmentation fault and stops after 4 iterations. I don't think it's a memory issue since my unit cell is only 4 atoms. It works fine for the bulk NiO. Is hybrid functional not suitable for slab calculations?

Thanks.
Last edited by hkw09 on Fri Sep 11, 2009 8:33 am, edited 1 time in total.

support_vasp
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Re: vasp 5.2.2 segfaults for hybrid functionals

#2 Post by support_vasp » Wed Sep 04, 2024 2:09 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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