Q-Chem Talk

Topic	Replies	Views	Activity
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	572	November 22, 2024
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Phase of NTO from hole.cube and elec.cube Questions	6	59	June 19, 2025
VPT2 Calculation Error When Assigning Infinite Mass to Selected Atoms in Q-Chem Questions	1	51	June 19, 2025
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Wierd error in LIBOPT3 Questions	3	143	June 5, 2025
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CCSD for core excited electrons Questions	5	171	May 30, 2025
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CPSCF Failure error in Frequency calculations Questions	3	143	May 27, 2025
SCF convergence problem Questions	4	203	May 26, 2025

Report SCF (HF/DFT) Convergence Issues

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…