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Point charge handling in QChem
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2
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218
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July 13, 2025
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FSM string distribution
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1
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214
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July 10, 2025
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Crash doing FSM
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3
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270
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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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243
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July 1, 2025
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Unusual Queue Times on Q-Chem Server
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1
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225
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June 30, 2025
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ss-PCM performance in Q-Chem
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4
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637
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June 30, 2025
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Dipole Moments with MBD
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3
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228
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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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552
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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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298
|
June 29, 2025
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Frequency calculations within PCM
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4
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284
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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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297
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June 25, 2025
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How to run wB97X-D3BJ or wB97X-D4?
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6
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1199
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June 24, 2025
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Random failures with pFON
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9
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287
|
June 23, 2025
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Unexpected behavior with EDA + INPUT_BOHR
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1
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216
|
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
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202
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June 19, 2025
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"TransDip" printed out in the vibrational analysis
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2
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274
|
June 11, 2025
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Optimal settings for large DFT calculations
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1
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340
|
June 10, 2025
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Wierd error in LIBOPT3
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3
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286
|
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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367
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June 4, 2025
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Temperature in Vibrationally resolved spectra calculations
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2
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289
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May 31, 2025
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Open Shell MBD forces
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1
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289
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May 31, 2025
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BASIS2 incompatible with GPUs
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8
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377
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May 31, 2025
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CCSD for core excited electrons
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5
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318
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May 30, 2025
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Too large imaginary frequency
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1
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269
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May 29, 2025
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CPSCF Failure error in Frequency calculations
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3
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327
|
May 27, 2025
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SCF convergence problem
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4
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398
|
May 26, 2025
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Crash during QMMM calculations
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6
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596
|
May 25, 2025
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How to get NTO pictures or plots of molecules
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1
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254
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May 18, 2025
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Restart crashed SCF calculation
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3
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337
|
May 16, 2025
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Simulating spectra with implicit solvent models
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1
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251
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May 13, 2025
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