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Report SCF (HF/DFT) Convergence Issues
Questions

Dear Q-Chem Community, If you have any SCF (HF/DFT) jobs that are time-consuming or are facing convergence difficulties with Q-Chem, please send them to support@q-chem.com with the subject line “SCF Convergence Issue” t…

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ONIOM for variable QM types
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Error in constrained geometry optimization
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Failed to evaluate Schwarz integrals 2
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Failed to evaluate Schwarz integrals
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9 224 December 17, 2024
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11 95 December 13, 2024
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Energy inconsistent
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NACs for highly excited states with EOM-CCSD
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6 156 December 3, 2024
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2 127 December 2, 2024
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2 89 November 27, 2024
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5 153 November 26, 2024
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How To
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QM/MM calculation error
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3 125 November 26, 2024