Topic Replies Views Activity
Error in X-HCFF and CPCM calculations
Questions
1 773 July 6, 2023
Webinar 69 by Adrian Dempwolff: ADC for Electron Detachment and Attachment
Questions
0 578 July 6, 2023
Mistake in CDFT
Questions
9 1447 July 5, 2023
Ras_nfrag_sets option
Questions
0 772 July 4, 2023
MECP using SA-SF-DFT
Questions
3 1152 July 3, 2023
Error in FED method
Questions
8 1028 June 29, 2023
When calculating the CI between S0 and T1, the following error occurs
Questions
2 960 June 29, 2023
CDFT-charge calculations:
Questions
5 986 June 28, 2023
Error when calculate dimer states
Questions
3 859 June 28, 2023
Facing problem in spin contamination
Questions
3 1514 June 28, 2023
Excited state method to reach conical intersection
Questions
5 1433 June 28, 2023
SCF and Total energy in Solvation - confusion
Questions
5 1214 June 25, 2023
Optimize charge
How To
1 749 June 24, 2023
PES using SF-TDDFT
Questions
1 719 June 24, 2023
ADC(2) excited energy Davidson not converge
Questions
2 802 June 22, 2023
What is the differences between ccman and ccman2?
Questions
8 1358 June 21, 2023
G-Tensor and Hyperfine results not printing
Questions
3 1042 June 21, 2023
Geometery optimization problem at SF-TDDFT
Questions
1 787 June 20, 2023
Qchem fatal error when calculating NMR
Questions
6 1142 June 20, 2023
Simulation of emission spectra
Questions
5 3919 June 19, 2023
How to get vertical excitation energy S0 to S1 using SF-TDDFT?
Questions
5 2478 June 18, 2023
Visualizing output containing ghost atoms
How To
5 1284 June 13, 2023
How to account for Spin Contamination
How To
2 1478 June 13, 2023
Error in NAC calculation "Not enough PEs in MemFok"
Questions
3 935 June 13, 2023
Read Archive file
How To
2 1010 June 6, 2023
Is SOC calculation running in parallel or serial?
Questions
1 855 June 6, 2023
FED calculation on RAS-SF
Questions
0 771 June 4, 2023
ADC(2) calculation error
Questions
2 770 June 3, 2023
SOC calculation on EOM-CCSD
Questions
4 1111 June 3, 2023
Spin-flip CI input and EOM-SF irrep
Questions
1 1004 June 3, 2023