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Prince Sharma's Projects

surfaxe icon surfaxe

Dealing with slabs for first principles calculations of surfaces

upho icon upho

Band unfolding for phonons

vasp-plot-modes icon vasp-plot-modes

Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP

vasp_raman_surf icon vasp_raman_surf

A set of scripts for flexible Raman off-resonant activity calculation for surface slabs, using VASP as a DFT back-end.

vasp_xdatcar icon vasp_xdatcar

A python class for parsing VASP XDATCAR from molecular dynamics

vaspbandunfolding icon vaspbandunfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

vaspberry icon vaspberry

Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code

vaspsol icon vaspsol

Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

vaspvis icon vaspvis

A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.

vaspy icon vaspy

Manipulating VASP files with Python.

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