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                                            Rizwan130

How to convert eigenvalues obtained from VASP output to eigns.npy and KPOINTS file to kpoints.npy?

Hello, could you please explain how to convert eigenvalues obtained from VASP to eigns.npy? Additionally, how can I convert k-points to kpoints.npy? I've written Python scripts for these conversions, but...

Clarification on HSE band structure workflow and training data in DeepTB

### Details Hello, I have a question regarding HSE band structure calculations in DeepTB. As we know, an HSE calculation usually involves two steps: SCF (self-consistent field) calculation. NSCF (non-self-consistent)...