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Work Function, Alpha+beta Term and XC:(G=0)

Posted: Tue Oct 14, 2014 1:19 pm
by cappri
Hello Guys,
I was calculating WF from VASP run. Now I got LOCPOT file and from that I got very nice plot by executing vtotav.f program. Now here comes the problem, when I am grepping E-fermi from OUTCAR to calculate WF, it is giving me: E-fermi : -1.5768 XC(G=0): -4.8974 alpha+bet : -2.9903
I really dont know what is alpha+beta term. Should I substract it from E-fermi to get it corrected or what???? What is the role of XC term here???? I know that WF = E(vac) - E(fermi),,,,,,,,,But kindly guide me how to get that fermi energy (corrected one) and how to get E(vac)?
I am not new using VASP but didn't do WF calculations before.

Best Reagrds,

Re: Work Function, Alpha+beta Term and XC:(G=0)

Posted: Thu Sep 12, 2024 8:41 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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