QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: baizq on April 22, 2011, 09:48

Title: LDA+U for transport calculation
Post by: baizq on April 22, 2011, 09:48

Dear colleagues,

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

Thanks,
baizq

Title: Re: LDA+U for transport calculation
Post by: 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).

Title: Re: LDA+U for transport calculation
Post by: baizq 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