[Wien] QTL-B error,,,LAPW2 crashed

santubaidya2009 at gmail.com JRF SNBNCBS -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101019/d041f7a5/attachment.htm

[Wien] optical properties calculations?

Dear Peter, As a followup --- I did a comparison study on a case of non-spin-polarized spin-orbit coupling with my procedure and the tricks in the UG. With my procedure, x lapw1 -p x lapwso -p x lapw2 -c -so -p x opticc -so -p x joint x kram The results (case.symmat, case.outputjoint,