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Error in X-HCFF and CPCM calculations
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1
|
285
|
July 6, 2023
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Webinar 69 by Adrian Dempwolff: ADC for Electron Detachment and Attachment
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0
|
239
|
July 6, 2023
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Mistake in CDFT
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9
|
454
|
July 5, 2023
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Ras_nfrag_sets option
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0
|
301
|
July 4, 2023
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MECP using SA-SF-DFT
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3
|
349
|
July 3, 2023
|
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Error in FED method
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8
|
334
|
June 29, 2023
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When calculating the CI between S0 and T1, the following error occurs
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2
|
339
|
June 29, 2023
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CDFT-charge calculations:
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5
|
371
|
June 28, 2023
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Error when calculate dimer states
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3
|
362
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June 28, 2023
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Facing problem in spin contamination
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3
|
434
|
June 28, 2023
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Excited state method to reach conical intersection
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5
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366
|
June 28, 2023
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SCF and Total energy in Solvation - confusion
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5
|
413
|
June 25, 2023
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PES using SF-TDDFT
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1
|
296
|
June 24, 2023
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ADC(2) excited energy Davidson not converge
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2
|
311
|
June 22, 2023
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What is the differences between ccman and ccman2?
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8
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462
|
June 21, 2023
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G-Tensor and Hyperfine results not printing
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3
|
377
|
June 21, 2023
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Geometery optimization problem at SF-TDDFT
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1
|
288
|
June 20, 2023
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Qchem fatal error when calculating NMR
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6
|
342
|
June 20, 2023
|
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Simulation of emission spectra
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5
|
1505
|
June 19, 2023
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How to get vertical excitation energy S0 to S1 using SF-TDDFT?
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5
|
690
|
June 18, 2023
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Error in NAC calculation "Not enough PEs in MemFok"
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3
|
390
|
June 13, 2023
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Is SOC calculation running in parallel or serial?
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1
|
418
|
June 6, 2023
|
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FED calculation on RAS-SF
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|
0
|
352
|
June 4, 2023
|
|
ADC(2) calculation error
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|
2
|
288
|
June 3, 2023
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SOC calculation on EOM-CCSD
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4
|
435
|
June 3, 2023
|
|
Spin-flip CI input and EOM-SF irrep
|
|
1
|
505
|
June 3, 2023
|
|
Constraints as relations between values
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1
|
256
|
June 2, 2023
|
|
Raman Spectra Specific orientation
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|
3
|
387
|
June 1, 2023
|
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Error on out-of-memory handler
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|
5
|
859
|
May 31, 2023
|
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Memory usage with DFT opt + Solvation
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|
16
|
514
|
May 28, 2023
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