[Wien] orb moment
Bhagawan Sahu
brsahu at physics.utexas.edu
Mon Jun 27 20:35:29 CEST 2005
Dear W2k users,
The system is a single atom in a supercell, 1-kpoint, GGA.
To get the orbital moment printed in the output file,
I use the following step:
1) self-consistent spin-polarizaed, spin-orbit calculation.
2) use lapwdm (x lapwdm -up -p -c -so) to get orbital moment
in case.outputdm file.
this need to be run once(either up or dn) as up/dn has no
meaning in SO calculation.
The case.indm file contains
RINDEX=1, LSINDEX=3
are the steps correct?
sahu
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