[Pw_forum] about Hubbard_alpha

[Axel Kohlmeyer]

On Mon, 18 Oct 2004, rjxiao wrote:

RX> Dear all,
RX>  

RX> When I use the LDA+U in the PWSCF, I found that there is a parameter
RX> which is called "Hubbard_alpha". I can't find its meaning in the help
RX> of PWSCF. Can you tell me how to set this parameter?

the explanation of that parameter in the file Doc/INPUT_PW
refers to some papers. you can look up the required parameters for
some elements in them.

best regards,
	axel kohlmeyer

RX> Thank you very much.
RX>  
RX> Best regards,
RX>  
RX> Sincerely,
RX> Ruijuan Xiao
RX> Institute of Physics,
RX> Chinese Academy of Sciences
RX> 
RX> _______________________________________________
RX> Pw_forum mailing list
RX> Pw_forum at pwscf.org
RX> http://www.democritos.it/mailman/listinfo/pw_forum
RX> 
RX> 

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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