EMAX: Difference between revisions

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{{TAGDEF|EMAX|[real]}}
{{TAGDEF|EMAX|[real]}}
{{DEF|EMAX| highest KS-eigenvalue  + <math>\Delta</math> | }}
{{DEF|EMAX| highest KS eigenvalue  + <math>\Delta</math> | }}


Description: {{TAG|EMAX}} specifies the  upper boundary of the energy range
Description: {{TAG|EMAX}} specifies the  upper boundary of the energy range

Revision as of 09:34, 17 October 2024

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 articles

EMIN, NEDOS, DOSCAR

Examples that use this tag