[Wien] Electronic Structure of CoP3

[Singh, David J.]

Physical Review B 59, 9722 (1999).

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From: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of ahmad gharleghi [ah.gharleghi at gmail.com]
Sent: Tuesday, December 31, 2013 7:35 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Electronic Structure of CoP3

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<mailto: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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