« previous next »
Pages: [1]   Go Down

Author Topic: LDA+U for transport calculation  (Read 4533 times)

0 Members and 1 Guest are viewing this topic.

Offline baizq

  • QuantumATK Guru
  • ****
  • Posts: 100
  • Country: us
  • Reputation: 3
    • View Profile
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
Logged

Offline nori

  • QuantumATK Guru
  • ****
  • Posts: 122
  • Reputation: 12
    • View Profile
Re: LDA+U for transport calculation
« Reply #1 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).
Logged

Offline baizq

  • QuantumATK Guru
  • ****
  • Posts: 100
  • Country: us
  • Reputation: 3
    • View Profile
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
Logged
Pages: [1]   Go Up
« previous next »