EMAX: Difference between revisions

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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.
 


== Related tags and articles ==
== Related tags and articles ==
{{TAG|EMIN}}, {{TAG|NEDOS}},
{{TAG|EMIN}}, {{TAG|NEDOS}},
{{FILE|DOSCAR}}
{{FILE|DOSCAR}}, {{TAG|EFERMI}}


{{sc|EMAX|Examples|Examples that use this tag}}
{{sc|EMAX|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density of states]]
[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density of states]]

Revision as of 09:35, 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, EFERMI

Examples that use this tag