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 Niewodnicza?ski 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
