Dear Dr. Blaha, Thank you for your reply. As you have asked, here is the result of the commands:
>echo $WIENROOT >/tmp_mnt/home/server5.u8/apd01/wien2k and >which lapw1 >/tmp_mnt/home/server5.u8/apd01/wien2k/lapw1 Also I am using C-shell and the .cshrc file has the entries from wien2k. (~/.bashrc Permission denied) I have also opened the user interface w2web and found that after constructing the the structure file (.struct) it is not generating the .inst file which should generate automatically, I think. Please help me in sorting this out. Debojyoti Mukherjee -------------- next part -------------- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090612/b946001a/attachment.html