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

Yurko Natanzon yurko.natanzon at gmail.com
Tue Sep 7 13:49:20 CEST 2010


Dear Varsha Goyal,
Try to calculate charge density with XCrysDen (first download and
install from http://xcrysden.org) as described in the User Guide.

regards,
Yurko

2010/9/7 Varsha Goyal <email.varsha at gmail.com>:
> Dear Prof. Blaha,
> It is to bring to your kind notice that while working on TiC problem as per
> instruction in the user manual we are able to obtain the density of states
> curves & X ray spectra as given in the manual. However when we tried charge
> density plots & the band structure diagram, the same are not  obtained.
> Also, we do not get any error message.The reason for the same is not clear
> to us. In manual there is a mention of installing" gnu plot"  but it is not
> clear as from which source and how it can be installed on Linux platform.But
> since the density of states diagram & X ray spectra are obtained as given in
> the manual, we expect that the charge density plots and band structure
> diagrams are not  being obtained due to some other problem.
> I therefore request you  to kindly suggest some solution for the problem.If
> it is due to the requirement of "gnu plot" then kindly  suggest the source
> and procedure for installing the same.
> Thanking you,
>  Yours Sincerely
> Varsha goyal
>
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-- 
Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
PhD student
Department for Structural Research (NZ31)
Henryk Niewodniczański Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Krakow, Poland
E-mail: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com


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