Queries about input and output files, running specific calculations, etc.
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nkxirainbow
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#1
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by nkxirainbow » Fri Nov 11, 2011 1:00 pm
Dear developers:
In the vasp manual, it is written in HF calculation:
ISTART = 1
LHFCALC = .TRUE. ; HFSCREEN = 0.2
NBANDS = number of occupied bands
If there are 100 electrons in unit cell of a paramagnetic insulator, is it written with "NBANDS = number of occupied bands" or "NBANDS = 50" in INCAR?
If the material is ferromagnetic, is "NBANDS" 50 or 100?
Thanks in advance
<span class='smallblacktext'>[ Edited ]</span>
Last edited by
nkxirainbow on Fri Nov 11, 2011 1:00 pm, edited 1 time in total.
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support_vasp
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#2
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by support_vasp » Thu Sep 12, 2024 7:30 am
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