[Wien] problems regarding using wien2k for TiC

[Varsha Goyal]

Dear Prof. Blaha & Wien users,
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:
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.

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.

3)"Execution | Initialize calc" does not give green highlighted steps rather
pink highlighted steps are obtained. On pressing highlighted buttons
following is observed:
x nn gives : program input 2; output  /wienroot/nn: command not found
                 0.001u 0.002s 0.00.00 0.0% 0+0k 0+0io 0pf+0w
                 error: command/wienroot/nn  upnn.def  failed
continue with
initlapw -->
view output nn -->   system error
                            can't read file//wien2kdata/lapw/TiC/TiC.output
nn
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.
Thanks in advance.
Dr. K. S. Sharma & Dr. Varsha Goyal
The IIS University, Jaipur (India)
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