Visualize the Wavefunction

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


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xcid
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Joined: Mon Mar 18, 2013 3:40 pm

Visualize the Wavefunction

#16 Post by xcid » Mon Mar 18, 2013 4:03 pm

[quote="panda"]I will use it actually for calculating partially occupied Wannier Functions, and was planning on using matplotlib for plotting, but we can easily write a conversion utility for XCrysDen format. I will work on putting together a blog this weekend with the source code. Do you use python also? I am just now also learning Erlang and so plan to do more with it in the future, but so many nice utilities already exist for math and science in python. [/quote]
I am a vasp user. I want to draw fermi surface with XCrysden. Could you please help me with the python script?
Thank you very much!
Last edited by xcid on Mon Mar 18, 2013 4:03 pm, edited 1 time in total.

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