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