[QE-users] Re: Fail in running koopmans

Colonna Nicola nicola.colonna at psi.ch
Wed Mar 20 20:40:59 CET 2024


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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