BSE code does not support metals

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Mutta
Posts: 69
Joined: Fri Feb 19, 2010 11:33 am

BSE code does not support metals

Post by Mutta » Fri Mar 30, 2012 9:12 am

Dear All
Abinit does not support metals, which my system is CuBO_2 (copper boron dioxides).
How can I solve this broblem

Thanks
Abdulmutta
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Agnxy
Posts: 6
Joined: Mon Mar 07, 2011 6:30 am

Re: BSE code does not support metals

Post by Agnxy » Wed Jul 11, 2012 1:59 pm

Mutta wrote:Dear All
Abinit does not support metals, which my system is CuBO_2 (copper boron dioxides).
How can I solve this broblem

Thanks
Abdulmutta


Hi all,
I recently came across the same problem when I studied optical properties of C3N4. It shows metallic behavior in DFT-LDA, but actually turns out to be semicondutor in GWA. Is there any way to use BSE in this situation?

Thanks in advance!
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