Dear Prof. Blaha & Wien users,<br>We have recently procured Wien2K .
After installation in Linux environment we were testing the software as
per guidelines. We are facing following problems because of which we
are not able to proceed further. We need guidance and help to resolve
the problems. The problems encountered are as follows:<br>1) As per
guidelines while generating structure file for TiC, RMT is not generated
by ' set automatically RMT and continue editing' -->' Reduce RMT by
3%' --> ' do it'. It generates z values but not RMTs. The structure
file obtained(in pink) shows blank spaces for RMTs.<br><br>2)On editing
structure file and manually feeding RMT values as 2.0000 and 1.9000 for
Ti and C atoms structure file with given RMTs is obtained.<br><br>3)"Execution
| Initialize calc" does not give green highlighted steps rather pink
highlighted
steps are obtained. On pressing highlighted buttons following is
observed:<br>x nn gives : program input 2; output /wienroot/nn: command
not found<br> 0.001u 0.002s 0.00.00 0.0% 0+0k 0+0io
0pf+0w<br> error: command/wienroot/nn upnn.def failed<br>continue
with<br>initlapw --><br>view output nn --> system error<br>
can't read file//wien2kdata/lapw/TiC/TiC.output nn<br>I will appreciate
if any body helps me to properly handle the software to find out
Electron Energy bands and Density of States of TiC as example and to
apply it to real problems.<br>Thanks in
advance.<br>Dr. K. S. Sharma & Dr. Varsha Goyal<br>The IIS
University, Jaipur (India)