EMIN: Difference between revisions
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{{TAGDEF|EMIN|[real]}} | {{TAGDEF|EMIN|[real]}} | ||
{{DEF|EMIN| lowest KS | {{DEF|EMIN| lowest KS eigenvalue - <math>\Delta</math> | }} | ||
Description: {{TAG|EMIN}} specifies the lower boundary of the energy range | Description: {{TAG|EMIN}} specifies the lower boundary of the energy range for the evaluation of the electronic [[density of states]] (DOS). | ||
for the evaluation of the DOS | |||
---- | ---- | ||
The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}} | The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}} is updated each {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps. | ||
each | |||
{{NB|tip| Set {{TAG|EMIN}} to a value larger than {{TAG|EMAX}}, if you are not sure where the region of interest lies.}} | {{NB|tip| Set {{TAG|EMIN}} to a value larger than {{TAG|EMAX}}, if you are not sure where the region of interest lies.}} | ||
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{{sc|EMIN|Examples|Examples that use this tag}} | {{sc|EMIN|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag | [[Category:INCAR tag]][[Category:Density of states]] | ||
Latest revision as of 09:45, 17 October 2024
EMIN = [real]
| Default: EMIN | = lowest KS eigenvalue - |
Description: EMIN specifies the lower boundary of the energy range for the evaluation of the electronic density of states (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. |