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incar

Here are 2 public repositories matching this topic...

Nick12-hub / Calculating-Phonon-Spectrum-With-PHONOPY

phonopy vasp supercell frequencies vasp-calculations kpoints incar

Updated Jul 27, 2021

bracerino / convergence-vasp-gui

GUI for automatic creation of POTCAR for POSCAR and calculations energy cut-off (Ecut) and k-space sampling convergence in VASP.

gui vasp convergence poscar automatically k-space geometry-optimization ecut kpoints streamlit incar energy-cut-off k-sampling potcar oszicar

Updated Jul 28, 2025
Python

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