the tags have given on vasp side kill my program and show various error ?
Rashmi,
What are the TAGS you used?
Please post the INPUT file and along with some error messages.
Mahesh
Actually i am not getting any error message. But whatever OUTCAR file i am getting is not showing band gap.
it shows following message::
" Unrecognized 'cut=' value. Cutoff set to 0.01
Bands with occupancy less than 0.01 will be considered unoccupied
ISPIN = 1: Non-spin calculation
There are bands and k-points
The band gap is calculated for the following ionic step: 1
The top of the valence band is -100000 eV and it occurs at
the k-point of
The bottom of the conduction band is 100000 eV and it occurs at
the k-point of in reciprocal coordinates
This produces a direct band gap of eV "
i am have done same calculation with DFT+U with same procedure i got band gap from OUTCAR .
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