EMIN: Difference between revisions
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{{DEF|EMIN| lowest KS-eigenvalue - <math>\Delta</math> | }} | {{DEF|EMIN| lowest KS-eigenvalue - <math>\Delta</math> | }} | ||
Description: {{TAG| | Description: {{TAG|EMIN}} specifies the lower boundary of the energy range | ||
for the evaluation of the DOS | for the evaluation of the DOS | ||
---- | ---- | ||
The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}} is updated | The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}} is updated | ||
each {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps. | each {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps. | ||
{{NB|tip| Set {{TAG|EMIN}} to a value larger than {{TAG|EMAX}}, if you are not sure where the region of interest lies.}} | |||
==Related tags and articles== | |||
{{TAG|EMAX}}, {{TAG|NEDOS}}, | |||
== Related | |||
{{TAG| | |||
{{FILE|DOSCAR}} | {{FILE|DOSCAR}} | ||
{{sc|EMIN|Examples|Examples that use this tag}} | {{sc|EMIN|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Electronic | [[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Density of states]] | ||
Revision as of 08:49, 20 March 2024
EMIN = [real]
| Default: EMIN | = lowest KS-eigenvalue - |
Description: EMIN specifies the lower 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.
| Tip: Set EMIN to a value larger than EMAX, if you are not sure where the region of interest lies. |