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About the Questions category
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0
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129
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July 1, 2020
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AFSSH-NAMD calculation between ground state and S1 - Bad Overlap
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7
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48
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October 19, 2021
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Q-Chem on M1 processors
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11
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270
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October 19, 2021
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EDA fatal error in some path
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6
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76
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October 18, 2021
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General questions regarding EOM-CCSD calculations
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2
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64
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October 18, 2021
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FNO Approach for the Non Hartree-Fock Orbital
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2
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43
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October 17, 2021
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Cartesian Hessian on HESS file Incompatible with Current System
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7
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53
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October 15, 2021
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Ways to deal with non convergence in optimizing the structure and get the maximum optimization cycle
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2
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17
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October 15, 2021
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FSSH Hopping probability between states
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5
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66
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October 13, 2021
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Issues when printing cube files
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2
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49
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October 11, 2021
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TDDFT cis energy converg not met
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11
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168
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October 4, 2021
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Trans_Enable -1 does not create any files
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3
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57
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October 2, 2021
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QM/MM Input Builder
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4
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75
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September 29, 2021
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Triplet excited state with SA-SF-DFT
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3
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45
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September 24, 2021
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Fine and ultrafine grid
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1
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66
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September 24, 2021
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Fchk format options
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3
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80
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September 24, 2021
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Qchem shell script not generated after installation
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5
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47
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September 22, 2021
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Regarding Maximum Overlap Method (MOM)
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1
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43
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September 17, 2021
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Strange excitation energies from ADC(3)
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0
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47
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September 13, 2021
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Parallel execution of ADC(3)
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2
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70
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September 13, 2021
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ElectricFieldGradient for excited states
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6
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124
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September 9, 2021
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Calculating electronic preparation energy using ALMO-EDA
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2
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164
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September 9, 2021
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Symmetry of EOM-EE(EA)-CCSD
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7
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283
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September 9, 2021
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Segmetation fault error with state_analysis
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3
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72
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September 9, 2021
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Help with CDFT-CI
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4
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70
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September 7, 2021
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EOM-CC-SF natural transition orbitals
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2
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128
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September 7, 2021
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Optimization of Palladium complex using CPCM model
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2
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65
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September 6, 2021
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PCM Dummy Cavities
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9
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167
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August 21, 2021
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Imaginary frequency in CPCM solvent
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19
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182
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August 16, 2021
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Geometry optimisation with constraints
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7
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132
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August 13, 2021
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