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Q-chem error message
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2
|
263
|
March 29, 2025
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TSVDW forces errors
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1
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274
|
March 28, 2025
|
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Non adiabatic coupling
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1
|
262
|
March 26, 2025
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Does Q-Chem Support MRSF-TDDFT?
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2
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451
|
March 25, 2025
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RASCI from CASSCF orbitals
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1
|
298
|
March 21, 2025
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What is the difference between DC coupling with ETF , cis force matrix element and cis derivative coupling without etf
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2
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465
|
March 21, 2025
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Non adiabatic coupling for internal conversion rate
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4
|
323
|
March 21, 2025
|
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How to interpret non adiabati coupling output
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3
|
465
|
March 21, 2025
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Frequency calculation
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4
|
289
|
March 20, 2025
|
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Dimer Method in Q-Chem 6.2
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4
|
321
|
March 20, 2025
|
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Excited state optimisation and frequency
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1
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354
|
March 19, 2025
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NMR jobs with triplet ground states
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7
|
722
|
March 19, 2025
|
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Creation of wfx files
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4
|
568
|
March 18, 2025
|
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T1 optimization in solution
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12
|
499
|
March 18, 2025
|
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Clarification on SF-DFT MECP Optimization and ⟨S²⟩ Values
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2
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334
|
March 13, 2025
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Vertical models of PES
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4
|
284
|
March 12, 2025
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Dispersion correction
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11
|
512
|
February 27, 2025
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Setting up cluster in IQmol: host not found
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2
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295
|
February 20, 2025
|
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Best method for large systems
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9
|
706
|
February 20, 2025
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NTOs between triplet excited states
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2
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290
|
February 19, 2025
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Oscillator strength formula
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3
|
2289
|
February 13, 2025
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SCF energy gradient gives NAN values for organometallic compound
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5
|
345
|
February 11, 2025
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How to set up frequency calculation with harmonic constrained potential
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4
|
659
|
February 7, 2025
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Q-Chem Fatal Error (RefCount.h)
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2
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373
|
February 6, 2025
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Q-Chem fatal Error FILE_MO_COEFS
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2
|
330
|
February 5, 2025
|
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ONIOM for variable QM types
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1
|
336
|
January 29, 2025
|
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Bioluminescent Simulations
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1
|
305
|
January 24, 2025
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IRC error in qchem 6.2
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0
|
343
|
January 23, 2025
|
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Excited state opt energy & Isotope UV-Vis spectra
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1
|
350
|
January 16, 2025
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Error in constrained geometry optimization
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1
|
445
|
January 15, 2025
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