[Wien] EECE Spin-orbit density of states

Francisco Garcia garcia.ff.000 at gmail.com
Wed Feb 13 07:41:03 CET 2013


Dear users,

I ran a EECE calculation with spin-orbit interaction and ended up with
a total spin up DOS different from the total spin down DOS, and the
difference is quite significantly. In the past, they always turn be
equal so I wondering why the difference this time. My commands for
generating the qtl files were:

runsp -eece -i 400 -ec 0.00001 -cc 0.00001 -p -so
x lapw2 -so -p -qtl -up
x lapw2 -so -p -qtl -dn

Thank you.


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