[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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