|
About the SAPT category
|
1
|
March 30, 2019
|
|
sSAPT0 issues: out of disk
|
5
|
November 22, 2019
|
|
SAPT (DFT) m062x
|
4
|
November 20, 2019
|
|
SAPT PSIO Error - Scratch to Blame?
|
2
|
November 14, 2019
|
|
What do the cube-files in I-SAPT visualize?
|
9
|
November 6, 2019
|
|
Unbelievable induction energy in SAPT0
|
5
|
November 4, 2019
|
|
Fatal Error: A Matrix is not SPD
|
9
|
October 29, 2019
|
|
Troubles in SAPT calculation
|
2
|
October 28, 2019
|
|
DLU solver did not converge
|
1
|
October 27, 2019
|
|
F-SAPT error (Fatal Error: Monomer A: A Matrix is not SPD)
|
2
|
October 22, 2019
|
|
Is SAPT energy the hydrogen bond energy?
|
3
|
October 16, 2019
|
|
Running I-SAPT with molecule created "from_array"
|
2
|
October 7, 2019
|
|
57/5000 I work transition metals dimer. psi4 missing the number of electrons
|
8
|
December 3, 2019
|
|
'Failed to converge' in sapt calculation
|
8
|
September 19, 2019
|
|
About SAPT (DFT)
|
4
|
September 16, 2019
|
|
The total binding energy in SAPT energy decomposition turns out to be positive
|
8
|
September 3, 2019
|
|
Atomic numbers limit in SAPT?
|
8
|
November 1, 2019
|
|
SAPT with ECP for Iodine atom
|
4
|
August 3, 2019
|
|
SAPT (DFT) issues
|
2
|
July 26, 2019
|
|
Bug in the E(30)ind SAPT correction?
|
3
|
July 12, 2019
|
|
Higher order SAPT with RI for heavier elements
|
2
|
May 23, 2019
|
|
Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
|
6
|
May 14, 2019
|
|
MinAO file extension
|
2
|
May 9, 2019
|
|
**Fatal Error: SCF::DF: Disk based algorithm requires
|
3
|
May 8, 2019
|
|
SAPT(DFT) wB97X-V Error
|
7
|
May 2, 2019
|
|
Interaction between transition metal and waters
|
3
|
May 2, 2019
|
|
Is this statement about the SAPT analysis true?
|
12
|
June 13, 2019
|
|
sSAPT Scaling term and F-SAPT
|
4
|
April 12, 2019
|
|
F/I SAPT0 problem with three fragments
|
2
|
April 5, 2019
|
|
Open-shell sapt calaculation
|
14
|
May 26, 2019
|
