[Wien] Electronic Structure of CoP3

[ahmad gharleghi]

Dear Banaras Khan,
Look for literature and make sure whether anybody is reported the band
structure of CoP3 skutterudites showing band crossing gap?

Ahmad


On Tue, Dec 31, 2013 at 8:13 PM, Banaras Khan <banarasphysicist at gmail.com>wrote:

> Dear WIEN2k Members
>
> I am working on CoP3 skutterudute compound and tried to get the electronic
> structure by minimizing the internal parameters.
>
> Bandgap is clearly seen in density of states and from the grep command
> but the Bandgap is not there in the Electronic Band
>
> Structure. Please guide me..
>
>    Thanks
>
>    Banaras Khan
>    University of Malakand, Chakdara, Pakistan.
>
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