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Hi, I'm writing this with advice. You really have to make the transiesta interface better. Adding the electrodes is a pain. You can only set the distance to the scattering region but you should be abl…
cdelv updated
3 years ago
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@tfrederiksen did #13 and this spurred the question of how the files should be organized in this repo.
So far it hasn't been too stringent. But I think we ought to do something now.
While the cu…
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Create NEGF contours as TS does it, this would enable extensive inputs for transiesta and tbtrans for optimal contours and also allow researchers to experiment.
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Great idea!!
I think this would be really useful in `sisl_toolbox`.
The idea is that tool-boxes are "temporary" placements of code that could probably go into the sisl machinery while still be e…
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I think it would be nice, if it was possible, to for example say `fdf.electrodes["Left"].atoms` or `fdf.electrodes["Left"].chem_pot.contour` to obtain the atom indices of the electrode and its chemica…
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I would like to propose to rewrite sisl CLIs with [typer](https://typer.tiangolo.com/) instead of argparse.
**Why?**
Because:
1. It autogenerates CLIs for functions using typehints. This has s…
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**Good afternoon,
I recently asked about utilizing denchar for my calculations. Nick mentioned that it could be possible to do denchar calculations using sisl and I would like to test it to calculate…
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**Describe the issue**
Hello, Nick!
Recently I want to use TBtrans for TB-NEGF calculation in non-zero bias condition. However I search for the detailed operation in https://github.com/zerothi/t…
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**Describe the issue**
I wish to transform a `.TSDE` file, obtained from an *unpolarized* transiesta calculation, into a new one to be used in a *spin-polarized* run. However, I face some problems wi…
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I was trying to do two nanotubes, one in the other, in magnetic field. However, when I try to do tbtrans calculations, I get an error: Erroneous electrode setup, check out-put. My code:
```python
im…