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Author Topic: lda+U and GGA+U for molybdenite  (Read 2662 times)

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Offline negar_dm3

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lda+U and GGA+U for molybdenite
« on: May 3, 2016, 10:39 »
Hi
I want to use lda+U and gga+U for molybdenite.
How I can do it in ATK exactly?
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Offline Jess Wellendorff

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Re: lda+U and GGA+U for molybdenite
« Reply #1 on: May 3, 2016, 13:34 »
Have a look at this tutorial: http://quantumwise.com/documents/tutorials/latest/NiO_LDA_U/index.html/. The VNL manues may have changed a little since the tutorial was written, but it gives you the basics.
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