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- [ ] Introduction refers to castep.org for tutorials
- [ ] Integration of the bibliographies
- [ ] Add external tools to the tools page (e.g. PDielec)
- [ ] Add subsection electron-phonon coupling…
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@naik-aakash pointed out that we might think about a better way to store and access the xyz files (train.xyz, train_wo_sigma.xyz, train_phonon.xyz etc.)
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Specs:
Ryzen 5 5600X
RTX 3070
32GB RAM
Whenever I try to generate probes in a SteamAudioProbeVolume or bake them, the output log prints
```
LogSteamAudio: Warning: Unable to create OpenCL de…
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Following this tutorial: https://jdftx.org/EphMatrixElements.html
What are the units of the electron-phonon matrix elements?
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I am using the code to perform Raman calculations with QE 7.3.1, and overall, it seems to work very well. However, when I try to restart a phonon calculation in a cluster with ph_mat.x, I encounter th…
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Here a proposal for a feature enhancement:
My understanding is that @oadoug and @jamesgardner1421 have already implemented a 2TM-MDEF dynamics approach, so given a T_el(t) profile, MDEF dynamics …
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`root@aiida-rev-6:~# verdi process report 14584`
```
*** 14584 [Mg3Ru2/213/cP20: Phonon frequency [1]]: None
*** Scheduler output: N/A
*** Scheduler errors: N/A
*** 1 LOG MESSAGES:
+-> REPORT …
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First and foremost, thank you for this fork
I compiled the program and set the theme. It works perfectly, but I hear no audio.
I've already tried with and without earbuds, but no sound seems to play…
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I ran [the tutorial](https://github.com/IBM/pymser/blob/main/pymser_tutorial.ipynb) using the `main` branch. I got the following output for the fourth cell:
```
TypeError …
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When doing a fine phonon bandstructure calculation (specifying the path and then doing continuations with increasingly small PHONON_FINE_KPOINT_PATH_SPACING), there is a slightly weird behaviour with …