Name		Name	Last commit message	Last commit date
.vscode		.vscode
README.md		README.md
gCp2kMergeDos_New.sh		gCp2kMergeDos_New.sh
g_cp2k_dos_2023.py		g_cp2k_dos_2023.py
grafone.py		grafone.py
pycodestyle.ini		pycodestyle.ini

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CP2K_graphone_analysis

Script to process the data from CP2K atomistic simulation package.

It process .out, .restart, .pdos files to produce accessible information, such as plots and relevant parameters, from the DFT calculation

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