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Re: [abinit-forum] The quantity of the atomic polarization in the linear response function

From: "张�s" <zhangting1980323@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] The quantity of the atomic polarization in the linear response function
Date: Fri, 11 Aug 2006 17:21:08 +0800
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In my opinion, the linear response method does not use the finite difference method, versus real space atomic motion.

2006/8/11, yunhee.chang@kriss.re.kr <yunhee.chang@kriss.re.kr>:

Dear Abinit users,

I'm calculating the phonon dispersion band of In/Si(111) surface.
At that time, I'm using the linear response theory in Abinit.
In the response function calculation, there are rfphon, rfatpol, rfdir, rfelfd options.
But there is no the parameter to control the quantity of perturbation.
I think, when I use the rfdir option, the direction of displacement is controled.
But how much the atomic position is moved???
How much the charge density is perturbed??
Maybe the default value is present in the program,
where can I know this parameter's information.

Would you give me any comments?

Thank you~!

Best regards,
Yunhee Chang

The quantity of the atomic polarization in the linear response function, yunhee . chang, 08/11/2006
- Re: [abinit-forum] The quantity of the atomic polarization in the linear response function, Anglade Pierre-Matthieu, 08/11/2006
- Re: [abinit-forum] The quantity of the atomic polarization in the linear response function, 张�s, 08/11/2006
- Re: [abinit-forum] The quantity of the atomic polarization in the linear response function, Xavier Gonze, 08/14/2006