[Wien] Accuracy (relevance almost) of lstart energies

[Laurence Marks]

I am curious about how good/useful are the energies in lstart. Of
course if one wants to calculate, for  instance, cohesion energies or
atomization energies one has to compare apples with apples, i.e. do a
Wien2k supercell calculation for a single atom. Ignoring this, how
"good" are the energies in lstart (assuming that one has an
appropriate NRAD etc)? Is the code using essentially the same method
as elsewhere in Wien2k but with subtle additions such as
orthogonalization of the levels? Is it technically better (or worse)?

N.B., unfortunately the comments are in French, which I don't
understand as well as I probably should.

-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED