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Ab initio determination of Hubbard parameter U
Date: 2011/11/03 04:57
Name:
Mauro Sgroi
<
maurosgroi@yahoo.it
>
Dear all,
is there a procedure to evaluate the U parameter of LDA+U theory using OpenMX?
Thanks a lot in advance and best regards,
Mauro Sgroi.
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Re: Ab initio determination of Hubbard parameter U
( No.1 )
Date: 2011/11/11 21:04
Name:
T.Ozaki
Hi,
No, there is no way to evaluate the U parameter in OpenMX.
Regards,
TO
Re: Ab initio determination of Hubbard parameter U
( No.2 )
Date: 2011/11/12 05:48
Name:
Mauro Sgroi
<
maurosgroi@yahoo.it
>
Dear T. Ozaki,
thanks a lot.
Best regards,
Mauro
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Ab initio determination of Hubbard parameter U
Re: Ab initio determination of Hubbard parameter U