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Most questions that are answered on the Psi4 Forums are answered by a small group of developers and powerusers. Their time and energy is divided between their own research, further Psi development, and helping users. Acc…

3 August 12, 2019
Welcome to the PSI4 Forum! 2 July 16, 2015
Does CCSD and CCSD(T) run in multi-thread mode? 3 December 5, 2019
Orthogonality constrained density functional theory (OCDFT) and near-edge X-ray absorption (NEXAS) spectra 3 December 5, 2019
AO2SO and SO2AO transformations, spherical functions 12 December 2, 2019
Not an element error: Oganesson 2 November 28, 2019
Undefined symbol: mkl_lapack_ao_dgetrf 6 November 27, 2019
BSSE calculations 2 November 26, 2019
Spherical averaging of occupied orbitals on atoms 1 November 25, 2019
Regarding CASSCF Calculation 5 November 23, 2019
MP2 natural orbitals for MCSCF 5 November 22, 2019
sSAPT0 issues: out of disk 5 November 22, 2019
SAPT (DFT) m062x 4 November 20, 2019
MP2 polarizability using finite field 3 November 20, 2019
Optimizing the geometry of organometallic molecule, problems 42 November 19, 2019
SAPT PSIO Error - Scratch to Blame? 2 November 14, 2019
Force Consistency? 6 November 13, 2019
How to perform excited state calculation with CASSCF 2 November 12, 2019
Getting binary file with MO and basis informations from psi4 7 November 12, 2019
Scaled opposite spin (SOS) not changing orbital-optimized MP2 (OMP2) 5 November 8, 2019
What do the cube-files in I-SAPT visualize? 9 November 6, 2019
Reading from .fchk files 1 November 4, 2019
Unbelievable induction energy in SAPT0 5 November 4, 2019
Plugin FCIDUMP for CheMPS2 9 November 2, 2019
Electron Integrals for Orthogonalized Basis 4 October 31, 2019
Fatal Error: A Matrix is not SPD 9 October 29, 2019
Conventional CCSD(T) disk/memory usage? 13 October 28, 2019
Troubles in SAPT calculation 2 October 28, 2019
DLU solver did not converge 1 October 27, 2019
Reduce two electron integrals size 2 October 25, 2019