Dear Datta If I understood you will, then I guess the energy is measured with respect to the average electrostatic potential in pwscf QE code. For methods whereby the energy is referenced to the vacuum level it would be better to have a look at the Work function example in the example folder for the post-processing (pp) package Regards, Mohammed Khalafalla Taibah University Dept of Physics
On 21 May 2016 at 17:37, Kanak Datta <[email protected]> wrote: > Dear researchers > > pwscf code gives us the energy levels with respect to fermi energy. How do > I get the energy levels with reference to vacuum for an unknown system? > > Sincerely yours > Kanak > EEE, BUET > > *** Forgot to add affiliation in the last mail. I beg your pardon. > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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