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About cut3d and the contour plot of the charge density

From: "Xiao Deng" <hydeng2007@gmail.com>
To: "forum@abinit.org" <forum@abinit.org>
Subject: About cut3d and the contour plot of the charge density
Date: Mon, 13 Nov 2006 17:08:21 +0800
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Dear abinituser,

Directly using the cut3d to deal with the x_DS1_DEN file, I get the 2D contour plot of the cahrge density of the AlAs. And the label value was the fraction, such as 0.06,0.05.... However, R. Margri's result show that the contour values were integral, which are 20, 10. (see the attached figure). What's wrong with me? Can the R. Margri's result be obtained just using the cut3d to analyzing the x_DS1_DEN file? What's the difference between the cut3d and AIM?

Thanks!

Best Wishtes!

Xiao Deng

Attachment: AlAs_Contour plots of the charge density.jpg
Description: JPEG image

About cut3d and the contour plot of the charge density, Xiao Deng, 11/13/2006