how to calculate EXX and correlation energy with RPA
Posted: Sun Sep 19, 2010 6:57 am
Dear users,
I want to get the total energy which should be the sum of exact exchange and RPA correlation. However, how to obtain each of them with vasp5? If I do a G0W0 calculation with INCAR given in the website, all I get is dielectric numbers, but there is no 'energy' term. Does anyone has the experience of calculating EXX and correlation energy?
Thank you very much.
I want to get the total energy which should be the sum of exact exchange and RPA correlation. However, how to obtain each of them with vasp5? If I do a G0W0 calculation with INCAR given in the website, all I get is dielectric numbers, but there is no 'energy' term. Does anyone has the experience of calculating EXX and correlation energy?
Thank you very much.