Calculating INTRAmolecular SAPT
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3
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596
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September 2, 2022
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**Fatal Error: SCF::DF: Disk based algorithm requires
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6
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2183
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August 15, 2022
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What do the cube-files in I-SAPT visualize?
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10
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1337
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August 5, 2022
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SAPT-REVSCAN is possible?
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0
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403
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June 13, 2022
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SAPT0-D3MBJ (error writing to file)?
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5
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646
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May 10, 2022
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SAPT calculation input file from Gaussian .log file
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4
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1122
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March 16, 2022
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S^2 approximation in SAPT induction
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2
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480
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February 14, 2022
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How to use 6-31+g(d,p) basis set in SAPT2 calculation of cobalt complexes in psi4?
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3
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893
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January 13, 2022
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Basis set recommendation for the SAPT(DFT) method
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2
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559
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November 26, 2021
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SCF Convergence
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0
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452
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November 10, 2021
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Psi4, output .wfx file from SAPT
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2
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577
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October 20, 2021
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GRAC shift calculation clarification for SAPT-DFT
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3
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1019
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September 29, 2021
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Memory problem in SAPT calculation
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2
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568
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August 26, 2021
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Is SAPT2+ supported via psi4.sapt()?
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1
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524
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July 26, 2021
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Fsapt.py crashes
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7
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825
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July 7, 2021
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Force between atoms by SAPT
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3
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753
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July 1, 2021
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Question about sapt
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0
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553
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June 28, 2021
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SAPT level suitable for halogenated molecules
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6
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699
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June 25, 2021
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Huge induction energy in FI-SAPT0
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3
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951
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April 10, 2021
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Quesionts about fisapt0 input
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3
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671
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June 6, 2021
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Psi4 SAPT0 calculation was interrupted without error message
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5
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658
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April 2, 2021
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SAPT0 crashed without error message
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2
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591
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March 29, 2021
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SAPT - computing time questions
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5
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999
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March 11, 2021
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RuntimeError SAPT Calculation in a cluster
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10
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1025
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March 4, 2021
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FI-SAPT for Radicals
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1
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474
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March 3, 2021
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A question about Psi4 Input file
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5
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1185
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February 17, 2021
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How to perform A-SAPT?
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2
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738
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February 1, 2021
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Calculation of the interaction energy by the fi-sapt method
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9
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1547
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March 14, 2021
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Regarding SAPT Calculation in Psi4
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2
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1097
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January 8, 2021
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SAPT_DFT segmentation error
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6
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890
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December 1, 2020
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