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Author Topic: LDA+U for transport calculation  (Read 4531 times)

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Offline baizq

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LDA+U for transport calculation
« on: April 22, 2011, 09:48 »
Dear colleagues,

Can we apply LDA+U (or GGA+U..or whatever+U) to transport calculation?

Thanks,
baizq
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Offline nori

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Re: LDA+U for transport calculation
« Reply #1 on: April 22, 2011, 10:13 »
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Can we apply LDA+U (or GGA+U..or whatever+U) to transport calculation?
Yes ;)
One example is attached, which mimics the calculation presented in Appl. Phys. Lett. 94, 252103 (2009).
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Offline baizq

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Re: LDA+U for transport calculation
« Reply #2 on: April 22, 2011, 15:45 »
Quote from: nori on April 22, 2011, 10:13
Quote
Can we apply LDA+U (or GGA+U..or whatever+U) to transport calculation?
Yes ;)
One example is attached, which mimics the calculation presented in Appl. Phys. Lett. 94, 252103 (2009).

Hi nori,

Nice to see you back. Thanks a lot for your kind reply.  :)

baizq
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