ABINIT Discussion Forums • t2g and eg orbitals

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t2g and eg orbitals

Posted: Fri Aug 12, 2016 7:46 pm

by phialberta

Hello,
How to print the t2g and eg component of d orbital when PDOS is calculated with prtdos 3 ???
Thnx to help me !!!

Re: t2g and eg orbitals

Posted: Mon Aug 22, 2016 8:44 am

by Jordan

Hi,
t2g are 3 times degenerated and eg only 2 times. You should observe these degeneracies on the PDOS.
Cheers

Re: t2g and eg orbitals [SOLVED]

Posted: Mon Aug 22, 2016 2:39 pm

by phialberta

Hi Jordan,
Thank you for your response, but I need to plot its not only to observe it . I think the problem is resolved by the input prtdosm .
Cheers