UIJKL: Difference between revisions
(Created page with "This file stores the effectively screened Coulomb integrals ::<math> U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) </math> The format is as follows: # U_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 4.3457689208 0.0000000000 2 1 1 1 0.00000213...") |
No edit summary |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 3: | Line 3: | ||
U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' | U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' | ||
w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) | w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) | ||
w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) | w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}') | ||
</math> | </math> | ||
in following format | |||
# U_ijkl = [ij,R|kl,0] | # U_ijkl = [ij,R|kl,0] | ||
# I J K L RE(V_IJKL) IM(V_IJKL) | # I J K L RE(V_IJKL) IM(V_IJKL) | ||
| Line 11: | Line 11: | ||
2 1 1 1 0.0000021313 0.0000001349 | 2 1 1 1 0.0000021313 0.0000001349 | ||
... | ... | ||
== Related files == | |||
{{FILE|VIJKL}},{{FILE|URijkl}},{{FILE|VRijkl}} | |||
---- | ---- | ||
[[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]] | [[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]] | ||