Dear Prof. Blaha and wien2k users We have noticed a problem on the latest version (10.1) of wien2k during initso_lapw. If we set the case.inorb file for orbital polarization (nmod=2) and run initso_lapw, the kgen is making struct file to zero (completely blank), while in the older versions, there is no problem. Again initso_lapw in not running through w2web.
with sincere regards susanta -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101126/2e388182/attachment.htm>