[Wien] qtl with spin-orbit
Zhiyong Zhang
zyzhang at stanford.edu
Sat Jun 19 19:55:30 CEST 2010
Dear All,
I have a question about the qtl output files with spin-orbit interaction. I produced the case.qtlup files with the following sequence of calculations:
lapw1 -band -up -orb
lapw1 -band -dn -orb
lapwso -up -orb
lapw2 -band -qtl -up -so
but when I run the following, in order,
lapw1 -band -dn -orb
lapw1 -band -up -orb
lapwso -dn -orb
I got the following error:
ERROR IN OPENING UNIT: 9
FILENAME:
./1-quintuple-so.vector
The file .vector actually doesn't exist.
When I checked the .qtlup component, it seems like that only the spin-up projections are produced. What do I need to do to obtain the spin-dn projection?
Thank you very much for your help!
Zhiyong
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