UIJKL: Difference between revisions
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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 | in following format |
Revision as of 09:10, 28 March 2025
This file stores the effectively screened Coulomb integrals
in following format
# 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 0.0000021313 0.0000001349 ...