QuantumATK Forum
QuantumATK => Scripts, Tutorials and Applications => Topic started by: zhaopeng77 on September 22, 2017, 05:31
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Dear Sir,
For DFT+U in ATK, is the U is the Ueff, i.e., Ueff = U-J? Long for your reply.
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Yes, that is correct. It is U-J. Check:
https://docs.quantumwise.com/manuals/ATKDFT.html#sect2-atkdft-hubbardu
Regards,
Daniele.
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Thank you for the reply.
Best Wishes,