Dear all
When calculating TDDFT using tasks 450 and 460, Is there a limit on the number of atoms when calculating TDDFT using elk? Or how many systems of atoms can it take into account? And can elk be used to compute systems with symmetries?
Best regards,
qlfang
Last edit: qlfang 2023-05-04
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Dear all
When calculating TDDFT using tasks 450 and 460, Is there a limit on the number of atoms when calculating TDDFT using elk? Or how many systems of atoms can it take into account? And can elk be used to compute systems with symmetries?
Best regards,
qlfang
Last edit: qlfang 2023-05-04