keeeto/VASP-Elastic
Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
Spreadsheet for generating 3 component Tersoff potential input for Lammps
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Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
Public repository.
Public repository.
A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation