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epfl-theos / koopmans Public

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More flexible command configuration - #245

#245

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elinscott merged 12 commits into

masterepfl-theos/koopmans:masterfrom

adding_calculator_configepfl-theos/koopmans:adding_calculator_configCopy head branch name to clipboard

Jun 26, 2025

Conversation Commits12 (12)Checks Files changed

Merged

More flexible command configuration#245
elinscott merged 12 commits into
masterfrom
adding_calculator_config

Switch H2O KIPZ calculation to 30 ecutwfc to avoid convergence issues

69848f8

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