[Wien] Still problem with CLMSUM

Michael Gurnett michael.gurnett at kau.se
Tue Mar 21 11:02:56 CET 2006


Hello Peter

A while ago while you were abroad, both Kevin and myself noticed a problem
in which the Wien (latest version) failed on the second iteration in lapw0
due to zero's in the clmsum file in the columns located under the PW line.
L. D. Marks was going to investigate the problem as you were abroad.
unfortuantly my email to him got lost and now his schedule is rather
hectic and thus doesn't have the time to investigate the matter. I was
wondering if  I could send you the structure file that causes the problem,
so that you could possibly locate the error. I have run the structure
using the exciting code and it runs ok leading me to the conclusion that
it is most likely a problem in Wien.

Michael




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