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Messages - rightsuman

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General Questions and Answers / Re: crystal field splitting
« on: September 13, 2017, 15:50 »
I was referring to figure 4a nad 4b of the paper. In the video it does give the contribution of atomic orbitals but not the crystal field splitting shown in these two figures.

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General Questions and Answers / crystal field splitting
« on: September 11, 2017, 19:08 »
In some papers we see crystal field splitting shown in Density of states plot. for example : splitting of Cr to t2g and eg in Sr2CrO4. The paper link is given below.
https://arxiv.org/pdf/1511.06217.pdf
Can this be performed in ATK?
If yes how?

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