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Welcome to Q-Chem Talk
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1
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1508
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July 1, 2020
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Q-Chem fatal error: Unable to diagonalize A-B
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6
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46
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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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48
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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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100
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September 13, 2024
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Webinar 76: Q-Cloud
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0
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33
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September 12, 2024
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Spin-contamination
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3
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34
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September 12, 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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7
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55
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September 10, 2024
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Q-Chem on Mac/M2 processors
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8
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628
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September 9, 2024
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Regarding Initial Guess
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4
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66
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September 6, 2024
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Behavior of FRACTIONAL_ELECTRON
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1
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74
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September 3, 2024
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Modifying orbital occupancy
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3
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76
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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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74
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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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65
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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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69
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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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101
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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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103
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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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94
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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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230
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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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384
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August 23, 2024
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HOMO-LUMO in SF-TDDFT method
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7
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129
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August 20, 2024
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Can libefp work with monovalent ions?
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0
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57
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August 20, 2024
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Q-Chem Webinar 75: The Q-Chem 6 Generation: Features And Developments
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0
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70
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August 15, 2024
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Non-covalent ALMO-EDA charge transfer term
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4
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101
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August 15, 2024
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Bonded ALMO-EDA for F2
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5
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209
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August 12, 2024
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Iqmol 3 (latest version)
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2
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104
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August 12, 2024
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MECP using penalty-constrained algorithm
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4
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109
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August 12, 2024
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BASIS2 and GPUs
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0
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59
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August 9, 2024
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CASSCF Gradients
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1
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74
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August 8, 2024
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Problem in GetRot
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3
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82
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August 8, 2024
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Projecting existing def2-SVP into def2-TZVP without redoing def2-SVP
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4
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90
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August 7, 2024
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