Dear Dr. Blaha,<br><br>Thank you for your reply. As you have asked, here is the result of the commands:<br><br>>echo $WIENROOT <br>>/tmp_mnt/home/server5.u8/apd01/wien2k<br><br>and <br><br>>which lapw1<br>>/tmp_mnt/home/server5.u8/apd01/wien2k/lapw1<br>
<br>Also I am using C-shell and the .cshrc file has the entries from wien2k.<br><br>(~/.bashrc <br>Permission denied)<br><br>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.<br>
<br>Please help me in sorting this out.<br>Debojyoti Mukherjee <br><br><br>