[Wien] orbital moment
Dr. B.R.Sahu
sahu at matter3.ph.utexas.edu
Thu Aug 7 18:52:50 CEST 2003
Hi stefaan
thanx
What if one wish to obtain the orbital moment selfconsistently ie not
just in the last iteration after scf run as you seem to suggest in the
step
3) x lapwdm -c -so -up
in that case we need the case.indmc file from the begining.
I remember(if correctly), in the wien mailing list the discussion about
obsolete nature of the line in wien2k_03 version,
1 3 r-index, (l,s)-index
in case.indmc file ie one can put this line in case.indmc as
0 0 r-index, (l,s)-index ie they are no longer effective.
but I am unable to retrieve the this discussion from the digest so far.
However, I may be wrong(userguide does metions various options for
r-index, and (l,s)-index).
best regards
sahu
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