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VIJKL

From VASP Wiki

The VIJKL file stores the bare Coulomb integrals at the unit-cell origin (R = 0):

[math]\displaystyle{ V_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' \frac{ w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')}{|{\bf r}-{\bf r}'|} }[/math]

The columns I, J, K, L are the Wannier function indices; RE and IM are the real and imaginary parts. 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
  ...

Related tags and articles

Constrained–random-phase–approximation formalism

Files: UIJKL, URijkl, VRijkl

Tags: LOCALIZED_BASIS, ALGO