Vacuum level for G0W0

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huangj3
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Vacuum level for G0W0

#1 Post by huangj3 » Wed Feb 10, 2016 10:27 pm

Hi,

I can calculate the vacuum potential at the DFT level by using the LOCPOT output and the vtotav.f post-processing but I need to use GW approach to include many-body effects. Could anyone please tell me how to calculate the vacuum potential at the G0W0 level?

Many thanks,

huangj3
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huangj3
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Posts: 25
Joined: Wed Oct 26, 2011 7:27 pm

Re: Vacuum level for G0W0

#2 Post by huangj3 » Fri Feb 12, 2016 12:42 am

Could the vacuum potential at the GW level be just the vacuum potential at the DFT level?
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