[Wien] Format of case.energy file - revisited

Brendan Arnold brendanarnold at gmail.com
Thu Aug 20 14:20:55 CEST 2009


Hi there,

What is the format of the case.energy file? There appears to be
intermittent lines describing the bands but it is not clear what all
the values are...

I have checked the archive (see links below) but it has not been
answered. The userguide (for version I'm working with at least) just
states that it contains the Eigenvalues for the k-states.

Kind regards,

Brendan Arnold

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-November/010008.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2009-June/011656.html


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