Category:INCAR: Difference between revisions

Revision as of 13:09, 31 August 2012

EMAX = [real]

Default: EMAX

= lowest KS-eigenvalue +

\Delta

Description: EMAX 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.

The following 7 pages are in this category, out of 7 total.

@@ Line 1: / Line 1: @@
-{{TAGDEF|EMIN|[real]}}
+{{TAGDEF|EMAX|[real]}}
-{{DEF|EMIN| lowest KS-eigenvalue  - <math>\Delta</math> |}}
+{{DEF|EMAX| lowest KS-eigenvalue  + <math>\Delta</math> |}}
-Description: {{TAG|EMIN}} specifies the  lower boundary of the energy range
+Description: {{TAG|EMAX}} 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}},
+{{TAG|EMIN}}, {{TAG|NEDOS}},
 {{FILE|DOSCAR}}