Welcome to the PSI4 Forum! (2)
EDA analysis with psi4 (14)
Optimisation under edf2 dft (4)
SAPT0 how can I know the accuracy of the interaction components? (3)
RI-MP2/def2-tzvppd convergence issue for calculations with iodide (12)
SAPT0 on Ca, Mg complexes (4)
Calculation of IR intensities (3)
ISAPT partitioning that cuts 2 sigma bonds in 1 fragment (4)
A-SAPT calculations / analysis (6)
How to compile PSI4 with Tensorflow? (10)
Pair correlation energies with set pair_energies_print true (3)
SAPT2 calculation stops with a Segmentation fault error (12)
Name 'Wavefunction' is not defined......a beginner with problems (2)
Custom defined basis set (5)
Adding Rydberg basis (3)
Wrong symmetry detected for simple tetrahedral molecule (1)
Convergence algorithms (5)
Problem with tungsten - DFT and HF (SCF) - unreasonable energies (5)
Psi.gdma causes python to crash: `Could not open psi4 output for writing.unit = 51` (8)
Problems with Wavefunction object and fchk() interface (9)
Gradient() memory usage (8)
NMR chemical shift calculation (2)
Azobenzene PES scan along dihedral does not converge and does not behave as intended (2)
MP2 polarizability calculation (3)
Error on building psi4 from source (15)
Compute Orbital Gradient (3)
Timer.dat Output detailed (4)
Please compile libint to support DF gradients (4)
Installation + enable gdma (3)
Psi4 User Survey (2)