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.
how to calculate EXX and correlation energy with RPA
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yuxiao_zihan
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how to calculate EXX and correlation energy with RPA
Last edited by yuxiao_zihan on Sun Sep 19, 2010 6:57 am, edited 1 time in total.
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zhuanghl
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how to calculate EXX and correlation energy with RPA
i have the same question Thanks.
Last edited by zhuanghl on Fri Dec 17, 2010 7:41 am, edited 1 time in total.