[Wien] electron density help

Stefaan Cottenier Stefaan.Cottenier at UGent.be
Thu May 23 09:56:07 CEST 2013


> I am starting to calculate electron density, i have tried for TiC and
> got some good results with the help of user guide. The problem i am
> facing is that i am not able to define the plane exactly and i am not
> able to understand the notation. if i have to use (110) plane what
> modifications should i follow in case.in5 .

The simplest advice in this case is: use xcrysden, where you can point 
and click to define the plane you want.

In the directory where you have made your wien2k calculation, give the 
command

xcrysden --wien_density

and follow the instructions on the screen.

Stefaan



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