> Probably your are using an old version of WIEN2k with the old scheme > to find the solution of the nonlinear equation in brj.f. You should get > the new version brj.f which avoids such problems. >
No, I am using latest version of Wien2k with mkl+ifort. It is not for all case. It happens for few cases and it doesn't matter that which case I am running. _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > [email protected]/index.html > >
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