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EMIN, EMAX, NEDOS tag


EMIN =  real number (minimum energy for evaluation of DOS)
EMAX =  real number (maximum energy for evaluation of DOS)
NEDOS=  integer     (number of grid points in DOS)
defaults: EMIN and EMAX default to sensible values given by the minium and maximum band energies. NEDOS defaults to NEDOS= 300.

The first two tags determine the energy-range in eV, for which the DOS is calculated. VASP evaluates the DOS each NBLOCK steps and writes the DOS after NBLOCK*KBLOCK steps to the file DOSCAR. If you are not sure where the region of interest lies, set EMIN to a value larger than EMAX.



Georg Kresse
2009-04-23