[Wien] problem regarding the path of gnuplot

2010-09-02 Thread Varsha Goyal
Dear Wien users, While running SCF cycle, I found problem regarding the incorporation of gnuplot .I want to ask about the path or the directory for gnu plot and also at which path it is to be incorporated.It would be grateful for anyone suggesting this problem thanking you Varsha Goyal

[Wien] problem in obtaining graphs for charge density and band structure for TiC

2010-09-07 Thread Varsha Goyal
t" then kindly suggest the source and procedure for installing the same. Thanking you, Yours Sincerely Varsha goyal -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100907/651c728a/attachment.htm>

[Wien] termination of SCF cycle and "BAD HEADER" message in TiC problem

2010-09-20 Thread Varsha Goyal
sfully the SCF cycle and perform various "Tasks" for the TiC . Thanking you Varsha Goyal -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100920/330187a6/attachment.htm>

[Wien] problems regarding using wien2k for TiC

2010-06-17 Thread Varsha Goyal
ith 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. T