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About the SAPT category
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1
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March 30, 2019
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**Fatal Error: SCF::DF: Disk based algorithm requires
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4
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April 7, 2020
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When I used psi4 for sapt calculation, the calculation was interrupted?
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10
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April 6, 2020
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SAPT0 with bsse_type=['cp'] is not working
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8
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March 30, 2020
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Error for sapt dmp2 calculation
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5
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March 10, 2020
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How does Psi4 accelerate the convergence of the CPHF equations in the computation of E20indr?
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5
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April 5, 2020
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sSAPT0 issues: out of disk
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6
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January 21, 2020
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SAPT (DFT) m062x
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4
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November 20, 2019
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SAPT PSIO Error - Scratch to Blame?
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3
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January 13, 2020
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What do the cube-files in I-SAPT visualize?
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9
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November 6, 2019
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Unbelievable induction energy in SAPT0
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5
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November 4, 2019
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Fatal Error: A Matrix is not SPD
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10
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December 28, 2019
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Troubles in SAPT calculation
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2
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October 28, 2019
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DLU solver did not converge
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1
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October 27, 2019
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F-SAPT error (Fatal Error: Monomer A: A Matrix is not SPD)
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2
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October 22, 2019
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Is SAPT energy the hydrogen bond energy?
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3
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October 16, 2019
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Running I-SAPT with molecule created "from_array"
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2
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October 7, 2019
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57/5000 I work transition metals dimer. psi4 missing the number of electrons
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8
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December 3, 2019
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'Failed to converge' in sapt calculation
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8
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September 19, 2019
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About SAPT (DFT)
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4
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September 16, 2019
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The total binding energy in SAPT energy decomposition turns out to be positive
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8
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September 3, 2019
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Atomic numbers limit in SAPT?
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8
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November 1, 2019
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SAPT with ECP for Iodine atom
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4
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August 3, 2019
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SAPT (DFT) issues
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2
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July 26, 2019
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Bug in the E(30)ind SAPT correction?
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3
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July 12, 2019
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Higher order SAPT with RI for heavier elements
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2
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May 23, 2019
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Unusually High Electrostatic Energy for Ionic Systems w/ SAPT2+3?
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6
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May 14, 2019
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MinAO file extension
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2
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May 9, 2019
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SAPT(DFT) wB97X-V Error
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7
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May 2, 2019
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Interaction between transition metal and waters
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3
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May 2, 2019
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