VIJKL: Difference between revisions
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This file stores the Coulomb integrals | This file stores the bare Coulomb integrals | ||
::<math> | ::<math> | ||
V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' | V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' |
Revision as of 09:22, 28 March 2025
This file stores the bare Coulomb integrals
The format is as follows:
# V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) 1 1 1 1 14.4576272582 0.0000000000 2 1 1 1 0.0000010313 0.0000031049 ...