UIJKL

This UIJKL file stores the effectively screened Coulomb integrals at the unit-cell origin (R = 0):

[math]\displaystyle{ 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]

evaluated at zero frequency ([math]\displaystyle{ \omega=0 }[/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:

 # 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
  ...

Related tags and articles