[Pw_forum] how to specify atoms in a plane by XCrySDen?

[Mahmoud Payami]

Dear Tone,

Many thanks for your solution.

Best regards,
Mahmoud


> That is correct, but it also works for WIEN2k, and here one can do some
> trick to get an arbitrary plane displayed (the WIEN2k is not needed to get
> that done).
>
> The recipe is the following:
>
> 1. display your structure
>
> 2. save your structure as WIEN2k struct file
>    (File-->Save WIEN2k Struct File)
>     [[ lets say we save in myfile.struct. Then we need to create a
>         myfile/ directory and copy the myfile.struct into it. ]]
>
> 3. execute: xcrysden --wien_density myfile/
>
> 4. select "2D Density plot". A control window for selection
>    of plane will appear. Select the plane you want, and print the
>    picture.
>
> Best regards, Tone
>
>
>
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