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Dear Developers
I am trying to calculate the atom_current by using the class tbtavncSileTBtrans .
I have a database TBT.nc generated by Siesta+Tbtrans for a system under a bias of 1Volt.
Whe…
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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**
Hi Nick !
Following your advice in #650,I construct the hamiltonian matrix and create .nc file successfully. However, when running TBtrans with those .nc files. something …
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**Describe the issue**
Dear developers,
Hello! I encounter a problem when run TBtrans for calculating TB model of an carbon chain with 12 atoms, where 4 for central part and 4 for left/r…
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Installing simulation codes via conda (from the conda-forge channel) looks like a very promising way forward (keywords: dependency management, multi-platform support, multi-language support, automated…
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Hi,
Recently, we were able to compile a library SISL in Windows 10 with Python 3.7 (3.7.7 and 3.7.8, numpy 1.19.1) using MSYS2 (MinGW32 compiler). Here is the corresponding issue in the SISL re…
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**Describe the issue**
Dear developers:
I use **sisl.physics.hamiltonian** in TB model calculation. It seems that in sisl the hamiltonian matrix element has to be given one by one.
If I use slice…
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**Code to reproduce problem**
```python
print(Hd.nsc)
Hd.write('out.TSHS')
```
Gives
[1 1 1]
SislError: The diagonal elements of your orthogonal Hamiltonian have not been defined, this is a r…
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**Describe the issue**
I get many errors with the current `main` when running `pytest-3 --pyargs sisl.io` . Any ideas?
```python
fhiaims/tests/test_in.py .... [ 1…
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#539 made me notice that the keyword in `Geometry.swapaxes` is `what`, while in [`Geometry.rotate`](https://zerothi.github.io/sisl/api/generated/sisl.Geometry.html#sisl.Geometry.rotate) it is `only`. …