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Thanks @liamhuber for the updated version of pyiron_nodes. I have used _main_ to create _dev_joerg_from_main_ and made their some changes. Most of the issues when updating to this version were easy to…
JNmpi updated
2 months ago
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In prismatic and pyprismatic, if I turn thermal effects / temperature off, but have more than one frozen phonons, the software will repeat the measurement for each new frozen phonon mode, even though …
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This issue was raised by Francesco Belli
When the minimization is performed without symmetries, the dynamical matrix will break the symmetries present in the beginning.
Then the q star division a…
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as in, it seems everything needs ASR. we can separately implement ASR on every interaction, or possibly a better solution is to apply ASR to the total hamiltonian, and have only one input keyword to t…
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Hi,
I am using org-ref for citation handling. I export my org files to html. The following bibtex entry does not render as expected:
@article{PhysRevB.57.1292,
title = {Determination of the p…
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Takuro Tokunaga, Masao Arai, Kazuaki Kobayashi, Wataru Hayami, Shigeru Suehara, Takuma Shiga, Keunhan Park, Mathieu Francoeur
> Phonon transport across a vacuum gap separating intrinsic silicon cry…
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In the future, I plan to separate the running of the simulation from the analysis so that the analysis could be performed separately with many different parameters. This will free the config files fro…
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I'd like to use JuliaPhonons to do a similar analysis as found in part V of [this paper](https://aip.scitation.org/doi/10.1063/1.4984833). The inner product between the eigenvectors of a defect cell a…
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I just use the example file, but it has a problem in python.
import sys
from os.path import pathsep
sys.path = ['D:\programFiles\ascii-phonons-master\addons'] + sys.path
import bpy
import …
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The degree of [concentration](https://en.wikipedia.org/wiki/Concentration) of [countable](https://en.wikipedia.org/wiki/Countable) objects ([particles](https://en.wikipedia.org/wiki/Elementary_particl…