pybinding
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dean0x7d
Scientific Python package for tight-binding calculations in solid state physics
Dear developers, I installed pybinding by the "pip3 install -i https://test.pypi.org/simple/ pybinding" on my Mac book with M3 chip. When I import pybinding, I got the following error message. How...
Bert I am sorry to bother you again :-( I wanted to play with simple models, following the documentation to the letter. After graphene, I moved to a simple 1D...
Where can atomic basis sets for materials be obtained from in the source code? We need basis atomic set for our research project. Where are the basis sets you mentioned...
The KPM method for computing conductivity has the advantage that once you have computed all the moments, a simple integration with the Fermi-Dirac distribution should yield results for many temperatures...
https://github.com/dean0x7d/pybinding/blob/ec1128aaa84a1b43a74fb970479ce4544bd63179/cppcore/src/kpm/OptimizedHamiltonian.cpp#L112 has the expression of a vector where the index is taken from using an other vector. However, if the Hamiltonian is block-diagonal, the index_queue doesn't contain all the indices...
The current linked version of PyBind11 isn't compatible with the latest version of Visual Studio. The `Py_ssize_t`-variable isn't available. In a future release, a new version will be linked. Please...
I am trying to install the package on Windows 11. Even I tried to install it on Ubuntu, I am still getting the same error. I have -> Python 3.10.11...
I don't understand properly the kind of modifications that `translational_symmetry` applies to the model. I tried to read the source code, but it is linked to some C++ code which...
Dear Developer, Thanks for the instructive codes and I find it very helpful. I wonder if it is possible to convert the model Hamiltonian into the wannier90.dat format, which is...
While constructing series of hopping automatically using the `hopping_generator` modifier I noted that the model created in this way has troubles in dealing with periodic boundary conditions. I attach a...