Dear Zongyi Wang, you are using an old input file, n_max_sc_steps was renamed alpha_numsteps. You can check the valid input variable at the Koopmans website: https://koopmans-functionals.org/en/latest/input_file/workflow_keywords.html
If you have other question related to the koopmans package in general please post it to our dedicated mailing list<https://groups.google.com/g/koopmans-users> Hope this help, Nicola ----------------------------------------------------- Nicola S. Colonna PAUL SCHERRER INSTITUT OVGA/202A CH-5232 Villigen-PSI
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