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 > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- 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