[QE-users] Calculate band structure for alloy

SURAJIT SAMANTA 2019pms5038 at mnit.ac.in
Fri Jan 15 13:44:09 CET 2021


Dear users and experts,
I am  a new user of quantum espresso. Please give guidence in choosing
pseudopotentials for calculating band structure for half heusler alloy
(TiNiSn) system. Along with this please give me suggestion regarding the
procedure for doing this calculation.
Is this code applicable for a system which crystal structure cif file is
not available?
Thanks and regards
Surajit.
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