How to use 6-31+g(d,p) basis set in SAPT2 calculation of cobalt complexes in psi4?
|
|
3
|
729
|
January 13, 2022
|
Basis set recommendation for the SAPT(DFT) method
|
|
2
|
480
|
November 26, 2021
|
SCF Convergence
|
|
0
|
412
|
November 10, 2021
|
Psi4, output .wfx file from SAPT
|
|
2
|
527
|
October 20, 2021
|
GRAC shift calculation clarification for SAPT-DFT
|
|
3
|
847
|
September 29, 2021
|
Memory problem in SAPT calculation
|
|
2
|
511
|
August 26, 2021
|
Is SAPT2+ supported via psi4.sapt()?
|
|
1
|
487
|
July 26, 2021
|
Fsapt.py crashes
|
|
7
|
685
|
July 7, 2021
|
Force between atoms by SAPT
|
|
3
|
662
|
July 1, 2021
|
Question about sapt
|
|
0
|
507
|
June 28, 2021
|
SAPT level suitable for halogenated molecules
|
|
6
|
602
|
June 25, 2021
|
Huge induction energy in FI-SAPT0
|
|
3
|
822
|
April 10, 2021
|
Quesionts about fisapt0 input
|
|
3
|
616
|
June 6, 2021
|
Psi4 SAPT0 calculation was interrupted without error message
|
|
5
|
613
|
April 2, 2021
|
SAPT0 crashed without error message
|
|
2
|
529
|
March 29, 2021
|
SAPT - computing time questions
|
|
5
|
879
|
March 11, 2021
|
RuntimeError SAPT Calculation in a cluster
|
|
10
|
922
|
March 4, 2021
|
FI-SAPT for Radicals
|
|
1
|
436
|
March 3, 2021
|
A question about Psi4 Input file
|
|
5
|
1014
|
February 17, 2021
|
How to perform A-SAPT?
|
|
2
|
693
|
February 1, 2021
|
Calculation of the interaction energy by the fi-sapt method
|
|
9
|
1339
|
March 14, 2021
|
Regarding SAPT Calculation in Psi4
|
|
2
|
971
|
January 8, 2021
|
SAPT_DFT segmentation error
|
|
6
|
838
|
December 1, 2020
|
PSI SAP0 Calculation -- ignore delta-HF calculations
|
|
1
|
508
|
November 19, 2020
|
Basis set SAPT0
|
|
3
|
613
|
November 17, 2020
|
PSI4 Error in memory
|
|
9
|
2076
|
October 13, 2020
|
Problem with SAPT calculations for platinum complexes
|
|
11
|
1028
|
October 7, 2020
|
The calculation of SAPT2+ fail, Fatal Error: PSIO Error
|
|
8
|
1590
|
October 7, 2020
|
SAPT2+(3)dMP2 unspecified charge
|
|
2
|
592
|
October 3, 2020
|
Error in Rigid SAPT(0) Scan using Z-Matrix
|
|
9
|
666
|
November 6, 2020
|