[Wien] about some output files from wien2k

Fabiana Da Pieve fabiana.dapieve at gmail.com
Thu Jun 20 17:55:46 CEST 2013


Dear Wien2k community

I am trying to interface some output files from wien2k (.vcoul, .r2v,
clmsum and .corewavefunction) with a home-made code (this code is much
much simpler and trivial with respect to the big purposes of wien2k) .

- is it possible to split out these files directly when running run_lapw ?
(without passing through lapw5, or xspec, or telnes)

- are you aware if there is any way to obtain such files (in the same
format as they are printed by wien2k), by one of the others FLAPW
codes somehow interfaced with wien2k, working either in
TDDFT-bootstrap (elk) or G0W0 (exciting) ?
I have checked some web sites and I did not find any precise comments
about "same output of wien2k" or things like that. Maybe my thought
that all these tools had somehow similar output files was wrong.

Thank you very much in advance
Fabiana

VUB, Brussels


More information about the Wien mailing list