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.




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


== Example Calculations using this Tag ==
{{sc|EMAX|Examples|Examples that use this tag}}
{{TAG|Alpha-AlF3}}, {{TAG|Alpha-SiO2}}, {{TAG|bandstructure of SrVO3 in GW}}, {{TAG|Constrained MD using a canonical ensemble}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density of states]]

Revision as of 14:11, 8 April 2022

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

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