[Wien] how to choose the plane for plotting Electron Density without XCRYSDEN

2012-03-04 Thread Rocquefelte
Dear Bing, Some years ago, when I was using WIEN97, the users were doing such calculations by selecting themselves the plane of interest. You simply need to draw the structure on a paper (or using an external tool such as VESTA or DIAMOND...). Then you have to define the place of the plane you

[Wien] how to choose the plane for plotting Electron Density without XCRYSDEN

2012-03-04 Thread Zhou Bing
Dear Xavier, I will try to contact the adminstrator of the supercomputer center for installing XCRYSDEN. Have a nice day! Bing Dear Bing, Some years ago, when I was using WIEN97, the users were doing such calculations by selecting themselves the plane of interest. You simply need to

[Wien] how to choose the plane for plotting Electron Density without XCRYSDEN

2012-03-03 Thread Zhou Bing
Dear all, I try to select a plane and plot the electron density, however, there is no XCRYSDEN installed on the supercomputer center. I checked UG (p.22 and p.119), and only found something like (100) plane being chosen by TiC.in5 file as: -1 -1 0 4 -1 3 0 4 3 -1 0 4 Thus, my questions is how to