EMAX: Difference between revisions

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Description: {{TAG|EMAX}} specifies the  upper boundary of the energy range
Description: {{TAG|EMAX}} specifies the  upper boundary of the energy range
for the evaluation of the DOS
for the evaluation of the DOS.
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The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}}  is updated    each  {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps.
The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}}  is updated    each  {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps.

Revision as of 11:36, 26 February 2019

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

Examples that use this tag


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