EMAX: Difference between revisions
No edit summary |
No edit summary |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 2: | Line 2: | ||
{{DEF|EMAX| highest KS eigenvalue + <math>\Delta</math> | }} | {{DEF|EMAX| highest KS eigenvalue + <math>\Delta</math> | }} | ||
Description: {{TAG|EMAX}} specifies the upper boundary of the energy range | Description: {{TAG|EMAX}} specifies the upper 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. | ||
== Related tags and articles == | == Related tags and articles == | ||
| Line 13: | Line 11: | ||
{{sc|EMAX|Examples|Examples that use this tag}} | {{sc|EMAX|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag | [[Category:INCAR tag]][[Category:Density of states]] | ||