[Wien] About isplit!!

[Yushan Wang]

hi, maybe following such way will yield what you want:
first, the check how the d orbital to split in your system, and then to
distinguish which parts of the calculated five states belong to t2g and
the others to the eg.



On Mon, 15 Mar 2004 zufengxia at sohu.com wrote:

> Dear all users:
>   I am trying to plot the DOS for a system including the transitional Co element with space group Pnnm. The case.struct shows the parameter ISPLIT=8, in order to get the t2g and eg partial DOS instead of the dxy,dyz,dxz,dx2y2,and dz2 DOS for Co d states, I forced the ISPLIT to 2, however I found that the ISPLIT is still the initial value (8) after running the SCF. If any one can give me an answer?
>
>
> Thank you very much
>
> F.X. Zu
>
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