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.
vasp 5.2.2 segfaults for hybrid functionals
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hkw09
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vasp 5.2.2 segfaults for hybrid functionals
Last edited by hkw09 on Fri Sep 11, 2009 8:33 am, edited 1 time in total.
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support_vasp
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Re: vasp 5.2.2 segfaults for hybrid functionals
Hi,
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