EMAX: Difference between revisions

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Revision as of 13:24, 31 August 2012

EMAX = [real] 

Default: EMAX = highest KS-eigenvalue +

Description: EMAX specifies the upper boundary of the energy range for the evaluation of the DOS


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


Related Tags and Sections

EMIN, NEDOS, DOSCAR


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