[Wien] pure d-orbital component
Pavel Novak
novakp at fzu.cz
Sat Jan 2 07:44:26 CET 2010
Dear colleague,
you can use the program QTL - see the usersguide.
Pavel
On Sat, 2 Jan 2010, 潘登 wrote:
> Dear All,
> I was about to calculate the structure of space group Pnma.When
> plotted the dos of d-orbital for each component such as dz2.Unfortunely, the
> component was mixed up together,it is impossible to distinguish the t2g and
> eg.So I am wondering is there an easy way to get the pure component of each
> orbital.
>
> Thank all.
>
> Pan Deng
> Nanjing University
>
--
More information about the Wien
mailing list