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Welcome to Q-Chem Talk
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1
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1559
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July 1, 2020
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Q chem software
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3
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56
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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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46
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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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43
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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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66
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October 7, 2024
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CCSD Optimization memory issue
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1
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35
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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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66
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October 2, 2024
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QM/MM calculations
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7
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73
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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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106
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September 28, 2024
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Spin Constraint in CDFT
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3
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96
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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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63
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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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50
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September 24, 2024
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Failed transition state calculation
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4
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82
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September 19, 2024
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Spin-contamination
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4
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103
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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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96
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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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86
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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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183
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September 13, 2024
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Webinar 76: Q-Cloud
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0
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64
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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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678
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September 9, 2024
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Regarding Initial Guess
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4
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109
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September 6, 2024
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Behavior of FRACTIONAL_ELECTRON
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1
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123
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September 3, 2024
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Modifying orbital occupancy
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3
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106
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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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106
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September 2, 2024
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Q-Chem fatal error occurred in module libmdc/newfileman.C, line 376:
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1
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104
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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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105
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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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140
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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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140
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August 28, 2024
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Regarding IQmol-3 new feature
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3
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126
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August 27, 2024
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Q-Chem Webinar 72: Multiscale free energy simulations of biochemical reactions using QMHub
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3
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276
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August 27, 2024
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Calculate the nonadiabatic coupling with external charge
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23
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437
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August 23, 2024
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