Fermi energy setting in the band structure in quantum espresso

01 January 1970 1 7K Report

Hi everyone,

Should i accept the fermi energy level is zero after band calculation. I mean that the fermi level value which can be obtained nscf. out file. And for band structure, this fermi energy value can be set to zero. Thus, should i do E-EF in the y energy axis ?

Many thanks,

Amar Kumar

yes, you need to subtract the EF from band energies.

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