[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070726/0c517c01/attachment.html>


More information about the users mailing list