EMIN: Difference between revisions

Latest revision as of 09:45, 17 October 2024

EMIN = [real]

Default: EMIN

= lowest KS eigenvalue -

\Delta

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.

@@ Line 1: / Line 1: @@
 {{TAGDEF|EMIN|[real]}}
-{{DEF|EMIN| lowest KS-eigenvalue  - <math>\Delta</math> | }}
+{{DEF|EMIN| lowest KS eigenvalue  - <math>\Delta</math> | }}
-Description: {{TAG|EMAX}} 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}}  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==
-'''Mind''': If you are not sure where the region of interest lies, set
+{{TAG|EMAX}}, {{TAG|NEDOS}},
-{{TAG|EMIN}} to a value larger than {{TAG|EMAX}}
-== Related Tags and Sections ==
-{{TAG|EMIN}}, {{TAG|NEDOS}},
 {{FILE|DOSCAR}}
-== Example Calculations using this Tag ==
+{{sc|EMIN|Examples|Examples that use this tag}}
-{{TAG|Alpha-AlF3}}, {{TAG|Alpha-SiO2}}, {{TAG|bandstructure of SrVO3 in GW}}
-----
-[[The_VASP_Manual|Contents]]
-[[Category:INCAR]]
+[[Category:INCAR tag]][[Category:Density of states]]