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Dear VASP users,

I am trying to do a calculation where NBANDS=31 and NKPTS=41. Number of electrons=45. I want the first 22 bands doubly occupied, then the 23rd band half-filled, and the rest bands are empty. How can I describe in FERWE and FERDO lines in INCAR the above situation?

Thanks for any help,

bandy

P.S.
If I use
FERWE= 943*1.0 328*0.0
FERDO=902*1.0 369*0.0

then I get the following messages:
in vasp.out:
vasp.4.6.26 9Nov04 complex
POSCAR found : 3 types and 14 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 3
reading WAVECAR
Error reading item 'FERWE' from file INCAR.

in OUTCAR(end part):
initial charge density was supplied:
charge density of overlapping atoms calculated
number of electron 45.0000000 magnetization 14.0000000
keeping initial charge density in first step


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Maximum index for non-local projection operator 10960
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<span class='smallblacktext'>[ Edited ]</span>

no, the loop to read FERWE and FERDO is weight( bands(kpoint), kpoints),
(kpoints is the outer loop), so the occupancies have to be given kpoint-wise
However, please check your electronic structure to see whether it is reasonable at all to set FERWE and FERDO. If you just want to do a spin-polarized run, it is sufficient to set ISPIN=2; NUPDOWN=1

how to set FERWE,I have hunt for a example for a long time.Is there someone give me a favor.Thank you first.