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Crash doing FSM
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3
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178
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July 8, 2025
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Dynamics on core excited state
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2
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167
|
July 1, 2025
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Unusual Queue Times on Q-Chem Server
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1
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148
|
June 30, 2025
|
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ss-PCM performance in Q-Chem
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4
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274
|
June 30, 2025
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Dipole Moments with MBD
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3
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150
|
June 30, 2025
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|
Does the fchk file generated by Qchem 6.2.2 not include orbital coefficients and orbital energies?
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4
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470
|
June 29, 2025
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Can't plot MO from .fchk generated from Q-Chem 6.2
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1
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188
|
June 29, 2025
|
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Frequency calculations within PCM
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4
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179
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June 27, 2025
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Fatal error in excited frequency
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2
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203
|
June 25, 2025
|
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How to run wB97X-D3BJ or wB97X-D4?
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6
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774
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June 24, 2025
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Random failures with pFON
|
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9
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188
|
June 23, 2025
|
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Unexpected behavior with EDA + INPUT_BOHR
|
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1
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135
|
June 20, 2025
|
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VPT2 Calculation Error When Assigning Infinite Mass to Selected Atoms in Q-Chem
|
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1
|
125
|
June 19, 2025
|
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Keywords for printing <S^2> values using unrestricted TDDFT (RPA=2)
|
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1
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139
|
June 15, 2025
|
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"TransDip" printed out in the vibrational analysis
|
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2
|
207
|
June 11, 2025
|
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Optimal settings for large DFT calculations
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1
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248
|
June 10, 2025
|
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Wierd error in LIBOPT3
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3
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212
|
June 5, 2025
|
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Unable to diagonalize A-B due to excited-state dissociation
|
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3
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257
|
June 4, 2025
|
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How to do PES of a specific singlet excited state
|
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2
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244
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June 2, 2025
|
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Temperature in Vibrationally resolved spectra calculations
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2
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216
|
May 31, 2025
|
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Open Shell MBD forces
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1
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203
|
May 31, 2025
|
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BASIS2 incompatible with GPUs
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8
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281
|
May 31, 2025
|
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CCSD for core excited electrons
|
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5
|
247
|
May 30, 2025
|
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Too large imaginary frequency
|
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1
|
199
|
May 29, 2025
|
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CPSCF Failure error in Frequency calculations
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3
|
213
|
May 27, 2025
|
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SCF convergence problem
|
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4
|
294
|
May 26, 2025
|
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Crash during QMMM calculations
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6
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280
|
May 25, 2025
|
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Getting whole set of OPDMs and Dyson orbitals
|
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2
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226
|
May 23, 2025
|
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How to generate NTO cube files for EOM-EE calculations?
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4
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885
|
May 18, 2025
|
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How to get NTO pictures or plots of molecules
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1
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181
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May 18, 2025
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