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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 1398 November 22, 2024
Failure in Frequency job
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Webinar 87: Improvements in the OO-DFT user interface
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5 119 April 18, 2026
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1 73 April 17, 2026
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3 92 April 13, 2026
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4 118 April 10, 2026
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3 97 April 7, 2026
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3 123 April 5, 2026
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3 111 April 2, 2026
IRC calculation issue
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2 147 April 1, 2026
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3 173 March 27, 2026
How to generate FCIDump file
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3 137 March 25, 2026
SCF convergence problem in CDFT-CI calculation
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3 170 March 24, 2026
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0 120 March 17, 2026
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2 166 March 17, 2026
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0 183 March 8, 2026
SOC for unrestricted TDDFT
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3 432 March 6, 2026
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3 177 March 5, 2026
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6 215 March 3, 2026
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4 235 February 28, 2026
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3 561 February 28, 2026
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Questions
1 205 February 25, 2026