[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
>

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