[Pw_forum] [pw_forum] how to set up spin-orbital coupling calculation in PWscf
Zhiping Yin
yinzping at gmail.com
Fri Jul 27 00:50:29 CEST 2007
Dear PWscf users,
I tried to set up spin-orbital coupling calculation in PWscf without spin
polarization. I used a full relativistic NCPP and set lspinorb=.true..
However, the output is identical with lspinorb=.false. I wonder what is the
correct way to set up a spin-orbital coupling calculation with/without spin
polarization. What is the requirement with the pseudopotential. Thanks very
much.
Best,
Zhiping Yin
--
Zhiping Yin
graduate student
department of physics
UC Davis
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