VRijkl
This file stores the off-centre Coulomb integrals
The format is as follows:
# V_ijkl = [ij,R|kl,0] # I J K L RE(V_IJKL) IM(V_IJKL) # R: 1 0.000000 0.000000 0.000000 1 1 1 1 14.4576272582 0.0000000000 2 1 1 1 0.0000010313 0.0000031049 ... # R: 2 0.000000 0.000000 1.000000 1 1 1 1 4.6546536926 0.0000000000 2 1 1 1 0.0617934919 -0.0000371600 ...
Mind: Available as of VASP.6.5.2. |