[QE-users] Total magnetization in QE

Rituparna Hazarika rituparnahazarika277 at gmail.com
Thu May 5 09:25:00 CEST 2022


Respected Sir/Madam,
       We have performed spin polarized optimized calculation of a doped
system in QE and obtained total and absolute magnetization of 0.5 Bohr
magneton.  But both the spin up and down band structure and dos are
similar.  Whether this system is considered to be magnetic or
nonmagnetic???  Previous literature has also reported that doped system to
be nonmagnetic with 0 Bohr magneton (performed in VASP).


With regards
Rituparna Hazarika
Department of Physics
Dibrugarh University
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