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I want to learn how to study the electrochemistry of batteries. Learn to use trans-siesta for studying electrode and electrolyte together.
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Do you think it makes sense to have an extra argument in the tile method which are breakpoints?
I.e. given that initial atoms are `[0, 1, 2, 3, 4]`, a normal tile would return a geometry like `[0,…
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After the Voronoi charges, transiesta adds a line like:
```
ts-Vha: 0.27918E-01 eV
```
Which is parsable by the `read_charge` method and therefore adds one extra "atom" to the charges read. T…
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See e.g. the bottom of the homepage, where [in the code](https://github.com/aiidateam/aiida-common-workflows/blob/master/docs/source/index.rst) there is the correct citation, but it's not visible in t…
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Hello,
Dear @zerothi ,
Sorry to bother you with this issue, We installed the tutorial using the installation script and, at the end, we got the following message:
```
This script assumes you…
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**Describe what you want to accomblish with TS+TBT+sisl**
plot transport (i-v curve + eigen channel ) + electronic (pdos + band structure) properties for heterogeneous 2D (or 3D) material structures.…
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Hi, @zerothi,
I try to calculate the electronic transport properties of a graphene nanojunction with a charge gate using the Geometry.Charge block and I have two questions about the calculation detai…
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Respected all,
I have been running the Inelastica package @tfrederiksen (**EigenChannels** executable to be specific) as a post-processing tool for transport calculations after TranSIESTA. I use…
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Good evening,
I was wondering if the Eigenchannel script would run properly despite not having the following: (TS.TBT.Npoints, TS.TBT.Emin, TS.TBT.Emax) SiestaIO
which was recommended based on the…