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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
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March 22, 2023
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DFT analytic frequency calculation with CPCM fails
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3
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106
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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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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
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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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Q-Chem fatal error occurred in module progman/main.C, line 185:
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1
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98
|
March 4, 2023
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Using solvent in the Freezing String Method
|
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8
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102
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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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Trying to evaluate performance of SOC calculations in TD-DFT methods
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3
|
503
|
February 23, 2023
|
|
Question for Standard nuclear orientation
|
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4
|
105
|
February 22, 2023
|
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Cannot find IQmol support
|
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4
|
121
|
February 21, 2023
|
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Broken link in the webinar
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0
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86
|
February 17, 2023
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How to obtain rpath
|
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4
|
82
|
February 17, 2023
|
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How to mix calculation methods for a big sized systems??
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3
|
99
|
February 16, 2023
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Possible error in the manual
|
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3
|
86
|
February 16, 2023
|
|
How to solve IRC oscillation and obtain IRC figure with mass-weighted coordinates?
|
|
8
|
128
|
February 14, 2023
|
|
CCSD(T) calculations under big sized systems
|
|
2
|
118
|
February 14, 2023
|
|
EOM-CCSD NDO outut
|
|
3
|
251
|
February 13, 2023
|
|
Failed H2O simulation - Beginner
|
|
4
|
99
|
February 11, 2023
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