[Pw_forum] charge density of KS state in SOC calculation

Wei Li liwei0099 at gmail.com
Sun Feb 18 00:56:17 CET 2018

Dear QE users and developers,

I want to plot the charge density with SOC effects, but as known that the
SOC effects via:

noncolin = .true.,

would lead to (two) degenerated KS orbitals compared with every KS orbital
in NON-SOC case, so which orbital should be plotted into order to look into
how SOC affect the charge density distribution compared with NON-SOC case?

thanks in advance


State Key Lab of Theoretical &
 Computational Chemistry
 Institute of Theoretical Chemistry
 Jilin University
 Changchun, 130023
 P.R. China
 Email: liwei0099 at gmail.com
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