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spin density + atomic structure
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Topic: spin density + atomic structure (Read 3356 times)
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Cyrille
Heavy QuantumATK user
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spin density + atomic structure
«
on:
August 31, 2016, 14:37 »
Dear all
I want to plot the spin density superimposed with the atomic structure.
Is there a way to do this?
I can only manage to represent separately the atomic structure and the spin density but I could not find a way to show the position of the atoms on the spin density.
Thanks in advance
Cyrille
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zh
Supreme QuantumATK Wizard
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Re: spin density + atomic structure
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Reply #1 on:
August 31, 2016, 15:40 »
You can write and spin density and atomic position into a Guassian cube file, and then visualize the cube file by using VMD. In this way, the spin density and atomic position both can be shown.
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Petr Khomyakov
QuantumATK Staff
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Re: spin density + atomic structure
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Reply #2 on:
August 31, 2016, 15:50 »
You can do it in the Viewer. You may open the spin density in the Viewer first, and then drag-and-drop your atomic structure (gID000) from the LabFloor onto the Viewer.
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Last Edit: August 31, 2016, 15:57 by Petr Khomyakov
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Cyrille
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Re: spin density + atomic structure
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Reply #3 on:
September 1, 2016, 09:38 »
Great thanks, that's too easy:-)
Cyrille
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spin density + atomic structure