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Gaurav Arora's Projects

calphad-data-analysis icon calphad-data-analysis

This repository contains all the necessary codes and script used for running CALPHAD and also post processing huge amount of data generated.

dos_plots icon dos_plots

Contains codes for making DOS plots from files generated using different packages such as VASPKIT, Pymatgen and plotting DOS manually from VASP generated files.

stacking-fault-energy-codes icon stacking-fault-energy-codes

Contains all the necessary code for making files, running simulations, post-processing results, etc for the stacking fault energy.

thermal_properties_using_phono3py_vasp icon thermal_properties_using_phono3py_vasp

This repository contains codes which can be used to extract thermal properties of materials using phono3py. All the documents included are written based on various resources taken from the internet and should not be used as a standalone document. But it can definitely serve as a starting point for the calculation.

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