quantum-espresso

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Visualization and editing of periodic molecular structure files.

visualization python atom gui molecule emscripten cpp17 lammps quantum-espresso xyz pwscf cpmd

generates xsf-format files from lobster 3D-wavefunctions files

converts a VASP POSCAR to a Quantum ESPRESSO input file

dft vasp quantum-espresso electronic-structure

Routines for parsing Quantuum espresso Unified Pseudopotential Format perfected with help of codeium.

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