[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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