locpot

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Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.

python dos vasp computational-chemistry locpot mxene

Post processing PowerShell Module for Vasp output.

python cli dos dft powershell plotly matplotlib lattice slab bandstructure vasprun locpot kpath

See Documentation below:

python dft vasp vasprun locpot dft-calculations

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