[QE-users] Spin Polarized + Spin Orbit Coupling combined
Christoph Wolf
wolf.christoph at qns.science
Sat Sep 1 19:05:50 CEST 2018
Your QE version is very old; most recent one is 6.3 and an update is always
recommended.
You should read the manual; it clearly states how to invoke spin-orbit and
polarization:
nspin = 4 : spin-polarized calculation, noncollinear
(magnetization in generic direction)
DO NOT specify nspin
<https://www.quantum-espresso.org/Doc/INPUT_PW.html#nspin> in this
case;
specify noncolin
<https://www.quantum-espresso.org/Doc/INPUT_PW.html#noncolin>=.TRUE.
instead
Hope that helps!
Chris
--
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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