E0

Queries about input and output files, running specific calculations, etc.


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hongbiao
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E0

#1 Post by hongbiao » Fri Jan 29, 2016 7:08 pm

In vasp, total energy we get includes energy of electrons, electron-electron, and electron-nuclei. E0 is the exploration of free energy of electrons at 0K (SIGMA-0). I think this means effect of SIGMA on the energy is cancelled, but why E0 is still changeable with the value of SIGMA? Thank you.
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Re: E0

#2 Post by admin » Mon Feb 01, 2016 10:19 am

Handson sessions are highly recommended as place to start:
https://www.vasp.at/vasp-workshop/slides/handsonI.pdf
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