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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…

3 298 November 22, 2024
CASSCF optimization file read error; PES scans
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2 53 March 25, 2025
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1 40 March 21, 2025
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4 92 March 21, 2025
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3 70 March 21, 2025
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How To
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Frequency calculation
Questions
4 57 March 20, 2025
Dimer Method in Q-Chem 6.2
Questions
4 57 March 20, 2025
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1 51 March 19, 2025
NMR jobs with triplet ground states
Questions
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Questions
4 64 March 18, 2025
T1 optimization in solution
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12 168 March 18, 2025
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2 67 March 15, 2025
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2 60 March 13, 2025
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Questions
4 59 March 12, 2025
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How To
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Questions
11 104 February 27, 2025
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How To
2 81 February 21, 2025
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Questions
3 133 February 20, 2025
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2 87 February 20, 2025
Best method for large systems
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9 139 February 20, 2025
NTOs between triplet excited states
Questions
2 75 February 19, 2025
Webinar 78 by Alistair Sterling: Probing Chemical Bonds With Broken Bond Orbitals
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0 85 February 13, 2025