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Revise project status in README

Update project status to maintenance mode and frozen.

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Bump version to 1.20.6

Updated version number from 1.20.5 to 1.20.6 in pyproject.toml.

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Implementation of the ORCA 6.1.0 interface using ASE. 
Option: -os orca
Please specify the absolute path to the ORCA executable in software_path.conf using the format orca::<path>. For Linux, provide the path to the binary (e.g., /absolute/path/to/orca), and for Windows, provide the path to the executable file (e.g., C:\absolute\path\to\orca.exe).

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