[Wien] Completeness of the basis set
Torsten Andersen
thor at physik.uni-kl.de
Tue Jan 20 10:29:22 CET 2004
Dear Wien users and programmers,
it maybe a crazy question, but I would like to know if there is some
kind of measure of the completeness of the basis set?
I can find measures of the orthogonality - but they are also rather easy
to do, but if I want to "converge" the basis set, I would like to know
if there is any way to determine how well converged it is, or would I
have to infer it from the changes to the total energy?
Best regards,
Torsten Andersen
--
Dr. Torsten Andersen TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/ http://www.physik.uni-kl.de/
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