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A (very?) large resistivity is needed to mimic an insulator. Not sure if really a bug. Comparison with some other simulator or solving the math by hand needed.
[arbor_insulator.py.gz](https://github.…
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**Submitting author:** @kavanase (Seán R. Kavanagh)
**Repository:** https://github.com/SMTG-Bham/doped
**Branch with paper.md** (empty if default branch): paper
**Version:** 2.4.0-JOSS
**Editor:** @rk…
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**Submitting author:** @bartandrews (Bartholomew Andrews)
**Repository:** https://github.com/HofstadterTools/HofstadterTools.github.io
**Branch with paper.md** (empty if default branch):
**Version:**…
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Hi @JaGeo.
I just tried running the phonon workflow and noticed that the k-point density used is extremely high. It's set as `grid_density=7000` which equals a reciprocal density of around `600` fo…
utf updated
10 months ago
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I was testing different plugins with Shapez.io on steam.
Wires+ was working fine.
Now Somehow with only Wires+ installed I am unable to get the insulators or the extra wires.
I have tried …
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Hi. In electron-phonon coupling calculation with optdriver=7, there are output of TAU(eKS)
in the standard output file as follows:
TAU(eKS): Lifetime in femtoseconds computed at the KS energy.
…
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**Describe the bug**
`ISMEAR=2` is set for non-metals.
I try to optimize the structure of NaCl with the following script (atomate development version):
```
from atomate2.vasp.jobs.core import …
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**Describe the bug**
I crafted an overload shrine, that is being fed air source from a container, one of the really big ones which is in turn being fed from two of the regular containers that have ex…
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**Submitting author:** @bartandrews (Bartholomew Andrews)
**Repository:** https://github.com/HofstadterTools/HofstadterTools
**Branch with paper.md** (empty if default branch):
**Version:** 1.0.3
**E…