Elastic Tensor

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Oier Arcelus

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Jun 24, 2019, 11:43:15 AM6/24/19
to Materials Project Development Group
Hi everyone,

I am calculating some elastic properties. I calculate the Cijkl tensor and related properties, but I wonder if there is a way of getting the reduced 6x6 representation with a function, instead of having to assign different matrix elements manually.

Thanks,

Oier.

Joseph Montoya

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Jun 24, 2019, 12:18:15 PM6/24/19
to Oier Arcelus, Materials Project Development Group
I think I can likely help you with this, but please post help questions to either of the pymatgen forum (https://pymatgen.discourse.group) or the materials project forum (https://discuss.materialsproject.org/).

Do you mind telling us how you got directed to this list?  We’d like to direct users more effectively to the appropriate fora for these kinds of questions in the future.

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Oier Arcelus

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Jun 24, 2019, 12:35:38 PM6/24/19
to Joseph Montoya, Materials Project Development Group
I dont know, I googled 'pymatgen google groups' and got linked here.


From: Joseph Montoya <mont...@lbl.gov>
Sent: Monday, June 24, 2019 6:16:40 PM
To: Oier Arcelus
Cc: Materials Project Development Group
Subject: Re: [matproj-dev] Elastic Tensor
 

Joseph Montoya

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Jun 24, 2019, 12:47:24 PM6/24/19
to Oier Arcelus, Materials Project Development Group
Great, thank you!  I’ll respond to your question on either of the fora I mentioned as soon as you post.
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