[xcrysden] Is it possible to show two planes in one xsf file?

GAO Zhe flux_ray12 at 163.com
Wed Feb 1 17:55:44 CET 2012


 Dear XCrySDen developer and users:
Hello.
I am using XCrySDen for the charge density or |psi|^2 visulasition of Quantum-ESPRESSO. SInce only one plane can be generated by pp.x in one time, I always draw the figure with single DATAGRID.
However, I found some person used CASTEP+Materials Studio to produce the model with two charge density planes which are not orthogonal. Therefore, I also wondering whether XCrySDen can draw the similar model.
I tried to generate two xsf files corresponding to different planes by pp.x, and accumulated them by:
 BEGIN_BLOCK_DATAGRID_2D
   name
   DATAGRID_2D_1
        nx  ny
        x0(1) x0(2) x0(3)
        e1(1) e1(2) e1(3)
        e2(1) e2(2) e2(3)
        FFT Data Mesh
    END_DATAGRID_2D
    DATAGRID_2D_1
         nx   ny
        x0(1) x0(2) x0(3)
        v1(1) v1(2) v1(3)
        v2(1) v2(2) v2(3)
        FFT Data Mesh
     END_DATAGRID_2D
END_BLOCK_DATAGRID_2D
But finally I found that not only the nx and ny have to be the same, but also the planes in two DATAGRID should be same. Then I tried to write tow BLOCK_DATAGRID_2D, but when I imported DATAGRID to my model, I had to choose one and only one.
So, now I just want to know, are there any methods to get two nonorthogonal plane to show charge density by XCrySDen?
Thanks.

--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 
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