Welcome to the PSI4 Forum!
SAPT0 stops without error message
EOM-CC3 strange default logic?
SCF problems! Please Help!
OEPROP after dropping electron from HOMO
Issues with FISAPT module in Gold complex calculations
AO2SO and SO2AO transformations, spherical functions
Is CCSD threading broken in 1.1?
How to obtain localized orbitals
UKS cannot compute VV10 or GRAC corrections?
Problem with running a plugin
Non-Covalent Interactions - SCF failing for water-oxygen dimer
Do frequencies dependent on the dertype setting?
How to obtain the One-electron overlap matrix
Error in the input: MPWB95
Merz-Kollman grid point for ESP
Questions about guess read
Cannot use Pualy's natural coordiantes to optimize geometry
The pseudopotential problem of heavy elements
How to obtain correct HF energy from matrices
How to insert MPWB95 data into sapt?
How to obtain the Hartree Fock Coulomb and Exchange Matrix
F-SAPT analysis on transition states
Charge-Transfer in Trimer, Tetramer and Pentamer
next page →