Closed skatnagallu closed 1 month ago
Restarted sphinx jobs for band structure calculations, creates a "kpoints" group in input, and not "kpoint". So when check_setup() is called for the job, it throws a keyerror.
https://github.com/pyiron/pyiron_atomistics/blob/0f38395584bccb319648822049a5a347b514fe68/pyiron_atomistics/sphinx/base.py#L1561
Restarted sphinx jobs for band structure calculations, creates a "kpoints" group in input, and not "kpoint". So when check_setup() is called for the job, it throws a keyerror.
https://github.com/pyiron/pyiron_atomistics/blob/0f38395584bccb319648822049a5a347b514fe68/pyiron_atomistics/sphinx/base.py#L1561