BandUP: Band Unfolding code for Plane-wave based calculations
python
fortran
vasp
band-structure
scientific-computing
quantum-espresso
abinit
band-unfolding
plane-wave
castep
-
Updated
Apr 13, 2021 - Fortran
BandUP: Band Unfolding code for Plane-wave based calculations
Input file writers and output file readers for the density functional theory code CASTEP.
Interface with AiiDA to automate CASTEP calculations and preserve their provenance.
Additonal code and plugins for working with AiiDA. VASP workflows for batteries and more.
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