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ADC(2) Optimization?
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2
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358
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March 28, 2023
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Parellel execution of SGM-QLS calculations
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0
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77
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March 28, 2023
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Choosing EOM reference SCF states
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7
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193
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March 24, 2023
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Symmetry assignment of spin-flip states in EOM
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3
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136
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March 24, 2023
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Solvent optimization using NoneqGrad
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1
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76
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March 23, 2023
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Using IQmol with Qchem server for education
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1
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88
|
March 23, 2023
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SOC calculation on EOM-CCSD
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3
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108
|
March 22, 2023
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Irc set? rpath?
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1
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92
|
March 20, 2023
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DFT analytic frequency calculation with CPCM fails
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3
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106
|
March 18, 2023
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G-CDS energies for O calculations using SMD
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3
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92
|
March 18, 2023
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Best way to copy opt geomety to other job
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1
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87
|
March 18, 2023
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Fixed atom and PES
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1
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76
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March 18, 2023
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Mecp point calculation
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0
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83
|
March 16, 2023
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Interpreting the results of RAS-2SF
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0
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81
|
March 15, 2023
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Locating transition structures using free energy
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1
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95
|
March 15, 2023
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Questions regarding libwfa job control
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10
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366
|
March 15, 2023
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Help with incremental FCI (iFCI) example
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1
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144
|
March 12, 2023
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Q-Chem License Query
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1
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92
|
March 9, 2023
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How to obtain mass-weighted coordinate
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2
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102
|
March 6, 2023
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How to print the symmetry of molecular orbitals In the output file?
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1
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82
|
March 4, 2023
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Q-Chem fatal error occurred in module progman/main.C, line 185:
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1
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98
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March 4, 2023
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Using solvent in the Freezing String Method
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8
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102
|
March 1, 2023
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Q-Chem on Mac/M2 processors
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1
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124
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February 24, 2023
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Creating electrostatic potential with external charge
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1
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73
|
February 23, 2023
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V5.4 - TDDFT triggered without being called for vacuum and pcm freq calcs
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5
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96
|
February 23, 2023
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Changing the order of atoms
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1
|
94
|
February 23, 2023
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Scan and bend constraint
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1
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84
|
February 23, 2023
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Trying to evaluate performance of SOC calculations in TD-DFT methods
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3
|
503
|
February 23, 2023
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MOs for a doublet system using Restricted open-shell
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1
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88
|
February 23, 2023
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Question for Standard nuclear orientation
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4
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105
|
February 22, 2023
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