[Pw_forum] Query

Anindya Bose anindya at iiita.ac.in
Fri Oct 27 20:22:19 CEST 2017

Dear Quantum Espresso experts,
I would like to simulate a hetero-structure of a metallic and an insulating
material,to obtain the band structure using QE,what should be the value of
occupations? Will it be fixed or smearing.Remember the structure is a metal
semiconductor interface.

Thanks and regards,
Anindya Bose
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