SAPT0, open-shell and closed-shell intermolecular interaction; DFHelper:get tensor:read error

1

Dear all,

I am running a SAPT0 calculation and meet a “DFHelper:get tensor:read error” in the SAPT module. The intermolecular interaction is open-shell and closed-shell complexs, so I try to the reference UHF and use the SAPT0/aug-cc-PVDZ level to calculate the energy decomposition, here are my input and output files, but I donot know how to solve this problem, can anyone please help?Thank you!

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2

Have you tried increasing the memory to about 95% of what your computer has?

3

Hello~, I am sorry for the huge delay. Thank you for your insightful reply, I followed your method of resizing the memory and solved it, thank you very much.