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by lwcamp
Thu Mar 31, 2011 8:48 pm
Forum: Many-body perturbation theory
Topic: valence XC contribution to KS orbitals without GW
Replies: 0
Views: 2173

valence XC contribution to KS orbitals without GW

When running a GW calculation, the code automatically generates and prints out the exchange-correlation contribution to the orbitals. Internally, it appears that the code generates an array vxc_val corresponding to the valence-only exchange correlation potential on the FFT grid used for the density ...