EMAX

EMAX = [real] 

Default: EMAX

= highest KS eigenvalue + $\Delta$

Description: EMAX specifies the upper boundary of the energy range for the evaluation of the electronic density of states (DOS).

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The DOS is evaluated each NBLOCK steps, DOSCAR is updated each NBLOCK*KBLOCK steps.

Related tags and articles

EMIN, NEDOS, DOSCAR

Examples that use this tag