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
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
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
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