I need assistance with extracting and analyzing the egeg and t2gt2g orbitals’ contributions from my VASP DOS calculations. I have performed the necessary calculations and obtained the DOSCAR and PROCAR files, but I’m unsure how to proceed with parsing these files, identifying the specific orbital contributions, and plotting the results for further analysis.
Could someone guide me through the following steps?
Parsing DOSCAR and PROCAR Files:
Which tools or scripts are recommended for parsing these file Any specific instructions or examples for extracting data using these tools?
Identifying Orbital Contributions :How can I isolate the contributions from the eg( dz2 and dx2−y2) and t2g( dxy, dxz, and dyz ) orbitals from the parsed data?
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