next up previous contents index
Next: ISMEAR, SIGMA, FERWE, FERDO Up: The INCAR File Previous: NUPDOWN   Contents   Index


EMIN, EMAX, NEDOS tag

EMIN=[real]         EMAX=[real]         NEDOS=[integer]

Default    
EMIN = - (lowest KS-eigenvalue - $ \Delta$)
EMIN = - (highest KS-eigenvalue + $ \Delta$)
NEDOS = 301

$ \Delta$ = max(10$ \times$SIGMA, 0.05$ \times$[(KS $ _{\mathrm{max}}$ $ _{\mathrm{min}}$

EMIN =  minimum energy for evaluation of DOS
EMAX =  maximum energy for evaluation of DOS
NEDOS=  number of grid points in DOS

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.



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at