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Welcome to Q-Chem Talk
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1
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1574
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July 1, 2020
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Failed to evaluate Schwarz integrals
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1
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19
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October 21, 2024
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Questions about geometry optimization and frequency calculations with fixed atoms
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4
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19
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October 21, 2024
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Q-Chem fatal error occurred in module libmdc/newfileman.C, line 376:
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2
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126
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October 18, 2024
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Nonadibatic caluclations failure with SMD solvent model
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1
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48
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October 16, 2024
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Q chem software
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3
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75
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October 10, 2024
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SCF convergence issue in NEO calculations
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3
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60
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October 7, 2024
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CDFT-CI with background charges
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1
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57
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October 7, 2024
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Issues with LRC-wPBE Functional in Franck-Condon Factor Calculations
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5
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76
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October 7, 2024
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CCSD Optimization memory issue
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1
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49
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October 6, 2024
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NBO Error for a large system
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5
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74
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October 2, 2024
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QM/MM calculations
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7
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83
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October 1, 2024
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Q-Chem fatal error occurred in module setman/rpa_dia.C, line 59: Unable to diagonalize A-B
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8
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118
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September 28, 2024
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Spin Constraint in CDFT
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3
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102
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September 24, 2024
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Running Calculations on EDA Intermediate States
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1
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71
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September 24, 2024
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Challenges in Hyperfine Coupling Calculations
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1
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59
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September 24, 2024
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Failed transition state calculation
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4
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89
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September 19, 2024
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Spin-contamination
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4
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112
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September 18, 2024
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Q-Chem fatal error: Unable to diagonalize A-B
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6
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104
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September 17, 2024
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Error: Could not open driver file in ReadDriverFromDisk
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2
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99
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September 14, 2024
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Determining Closed-Shell vs. Open-Shell Singlet in SA-SF-RPA Calculations
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14
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206
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September 13, 2024
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Webinar 76: Q-Cloud
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0
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75
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September 12, 2024
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Q-Chem on Mac/M2 processors
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8
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684
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September 9, 2024
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Regarding Initial Guess
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4
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119
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September 6, 2024
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Behavior of FRACTIONAL_ELECTRON
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1
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139
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September 3, 2024
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Modifying orbital occupancy
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3
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114
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September 3, 2024
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CCSDT iterations are not converging at stretched geometries
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1
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111
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September 2, 2024
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Non-performing of DSF calcuation at EOM-CCSD level
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4
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113
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August 28, 2024
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Segmentation fault when iterative Hirshfeld analysis is performed
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9
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152
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August 28, 2024
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Problems in RAS-CI calculations of open shell radical system
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4
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148
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August 28, 2024
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