[Pw_forum] about Hubbard_alpha

[rjxiao]

Dear Axel Kohlmeyer,
Thank you very much. I have read those papers.They are really helpful.


Best regards,

Sincerely,
Ruijuan Xiao
Institute of Physics,
Chinese Academy of Sciences


----- Original Message -----
From: Axel Kohlmeyer <axel.kohlmeyer at theochem.ruhr-uni-bochum.de>
To: PW Forum <pw_forum at pwscf.org>, rjxiao <rjxiao at blem.ac.cn>
Sent: Mon, 18 Oct 2004 15:40:34 +0800
Subject: Re: [Pw_forum] about Hubbard_alpha


> 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> 
> 
> -- 
> 
> 
> =======================================================================
> 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/
> =======================================================================
> 
> 
>