LSELFENERGY: Difference between revisions
No edit summary |
No edit summary |
||
| Line 9: | Line 9: | ||
If {{TAG|LSELFENERGY}}=''.TRUE.'', the frequency dependent self-energy <math> \langle \psi_{n {\mathbf{k}}} | \Sigma(\omega) |\psi_{n {\mathbf{k}}} \rangle </math> is evaluated. Evaluation of QP shifts is bypassed in this case. | If {{TAG|LSELFENERGY}}=''.TRUE.'', the frequency dependent self-energy <math> \langle \psi_{n {\mathbf{k}}} | \Sigma(\omega) |\psi_{n {\mathbf{k}}} \rangle </math> is evaluated. Evaluation of QP shifts is bypassed in this case. | ||
== Related | == Related tags and articles == | ||
{{TAG|GW calculations}} | {{TAG|GW calculations}} | ||
| Line 15: | Line 15: | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]] | [[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:GW]] | ||
Revision as of 14:41, 8 April 2022
LSELFENERGY = [logical]
Default: LSELFENERGY = .FALSE.
Description: This tag controls whether the frequency dependent self-energy is calculated or not.
If LSELFENERGY=.FALSE., QP shifts are evaluated. This is the default behavior.
If LSELFENERGY=.TRUE., the frequency dependent self-energy is evaluated. Evaluation of QP shifts is bypassed in this case.