[Pw_forum] How to set nosym for a spin-orbit calculation

Lingling Tao linglingtao2014 at gmail.com
Wed Aug 26 09:00:56 CEST 2015


Dear all,

It is well known that noncolin=.true. and lspinorb=.true are relevant
for a spin-orbit calculation in PWSCF.
I wonder how to set the nosym in soc calculation for PWSCF. Is it
necessary to set nosym=.ture. in scf or nscf
calculation when soc is included?

I appreciate any reply or comment. Thanks in advance!

Lingling Tao
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Post-doctoral Fellow
Department of Physics, The University of Hong Kong
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