[Wien] LSMO VCA
Lukasz Plucinski
pluto at physics.ucdavis.edu
Thu Apr 15 15:52:26 CEST 2010
Dear Wien2k Authors and Users,
I need to make some interpretations of ARPES data from the 3-dimensional
LSMO.
I realized that some LSMO calculations were made in this paper:
PRB 77, 165120 (2008),
however, prof. Blaha have used the VCA approximation.
I am using a WIEN2k version which is approx. 1 year old and I didn't see
the option to apply the VCA. Could you advise if VCA is possible in the
standard version of WIEN2k and how to apply it for LSMO.
GGA+U was also should be used, however, this is included in the standard
WIEN2k, I guess.
Could you advise how to reproduce the band dispersion from the
above-mentioned PRB ? I am happy as long as I get dispersions which are
similar to the experiment, even if it requires some "scissors operators"
etc. Can I somehow get-by without the VCA ?
Regards,
Lukasz
PS. Of course sending me the *.struct file would be great too :)
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