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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 1402 November 22, 2024
TDDFT SOC results
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Restarting finite difference frequency jobs
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Failure in Frequency job
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Webinar 87: Improvements in the OO-DFT user interface
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1 80 April 17, 2026
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4 121 April 10, 2026
Facing large number of imaginary frequencies in LRC-wPBE functional
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3 112 April 7, 2026
Error in RI-EA-CC2 calculation
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3 133 April 5, 2026
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IRC calculation issue
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2 158 April 1, 2026
NAC calculation
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3 187 March 27, 2026
How to generate FCIDump file
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3 140 March 25, 2026
SCF convergence problem in CDFT-CI calculation
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3 178 March 24, 2026
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0 131 March 17, 2026
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2 174 March 17, 2026
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0 200 March 8, 2026
SOC for unrestricted TDDFT
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3 443 March 6, 2026
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6 229 March 3, 2026
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Optimal settings for large DFT calculations
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