Category:INCAR: Difference between revisions
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{{TAGDEF|EMIN|[real]}} | |||
{{DEF|EMIN| lowest KS-eigenvalue - <math>\Delta</math> |}} | |||
Description: {{TAG|EMIN}} specifies the lower boundary of the energy range | |||
for the evaluation of the DOS | |||
---- | |||
The DOS is evaluated each {{TAG|NBLOCK}} steps, {{FILE|DOSCAR}} is updated each {{TAG|NBLOCK}}*{{TAG|KBLOCK}} steps. | |||
'''Mind''': If you are not sure where the region of interest lies, set | |||
{{TAG|EMIN}} to a value larger than {{TAG|EMAX}} | |||
== Related Tags and Sections == | |||
{{TAG|EMAX}}, {{TAG|NEDOS}}, | |||
{{FILE|DOSCAR}} | |||
---- | ---- | ||
Revision as of 13:08, 31 August 2012
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.
Mind: If you are not sure where the region of interest lies, set EMIN to a value larger than EMAX
Related Tags and Sections