In the case of spin-orbit coupling there is no proper spin up/ down
anymore - one should keep this in mind! You need to project the spin
expectation value on a
chosen quantization axis -> QE can do this
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_BANDS.html
best regards Nicki
-------------------------------------------------------------
Nicki Frank Hinsche, Dr. rer. nat.
Institute of physics - Theoretical physics,
Martin-Luther-University Halle-Wittenberg,
Von-Seckendorff-Platz 1, Room 1.07
D-06120 Halle/Saale, Germany
Tel.: ++49 345 5525460
-------------------------------------------------------------
Dear all,
how can I plot spin-polarized band structure (for spin up
and
spin down bands separately) for a calculation with spin orbit
coupling?
Thanks in advance.
thanks and regards,
Rajdeep Banerjee
PhD student
Theoretical Sciences Unit
JNCASR, Bangalore
India
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