Visualization of spin dynamincs

Queries about input and output files, running specific calculations, etc.


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scanmat_centre
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Visualization of spin dynamincs

#1 Post by scanmat_centre » Thu Oct 27, 2022 11:55 am

I am using spin spiral calculation using vasp_ncl. After convergence, i need to see the optimized magnetic spin structure of my material. Is there any tool to visualise the spin density of my materials using vasp outputs? ex. Data explorer

jonathan_lahnsteiner2
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Re: Visualization of spin dynamincs

#2 Post by jonathan_lahnsteiner2 » Fri Oct 28, 2022 7:49 am

Dear scanmat_centre,

It is possible to visualize your spin structure and density with py4vasp.
You can find the py4vasp documentation here

ttps://www.vasp.at/py4vasp/latest/data/magnetism/

To visualize the magnetic structure I would recommend you to use the

plot() Visualize the magnetic moments as arrows inside the structure.

to_viewer3d() Visualize the magnetic moments as arrows inside the structure.

functions. For the visualization of the spin density you can use the
function density.plot("magnetization") in py4vasp.
Alternatively, you can also use VESTA to visualize your data from the CHGCAR file.
For VESTA check this page https://jp-minerals.org/vesta/en/features.html

I hope this answers your question.

All the best

Jonathan

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