[Wien] Problem with function optimize.

Thank u for your answers, they were very helpful. Dima V. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080519/74cdf929/attachment.html

[Wien] Energy gap in PbTe

result? Dima V. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080519/ebeb53c7/attachment.html

[Wien] Molecular Orbital

Dear users I'd like to know that WIEN2k code is able to provide molecular orbitals on a mesh. if any body knows please tell me. Best -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080519/a58