Welcome to the PSI4 Forum!
Problems with Wavefunction object and fchk() interface
Orbital localization on a dimer system
Confusion About Threading
How to verify executables from downloads page?
Is there a solvent model in SAPT0 energy decomposition?
RI-MP2/def2-tzvppd convergence issue for calculations with iodide
How to output localized orbitals in cube file format?
Forces on atoms
Basis functions evaluation on a user-defined grid
How to generate the torsion, angle and bond parameters
Calculate the RESP and AM1-BCC charges of a molecule
Optimizing (nonstationary) conformations along a manual dihedral angle scan
How do I prevent Psi from changing my geometry?
How to put the AM1-BCC charges to the input file
How to use b3lyp and aug-cc-pvdz together
How to read a already generated Wavefunction from .wfn file
When does Psi4 support TDDFT calculations?
How to get electronic integral
What is the syntax for the Da function?
Exchange and Coulomb components in HF energy
How to calculate DFA1@DFA2
Molden occupancies issue
Boys orbital localization
B3LYP segmentation fault
A simultaneous rigid scan and SAPT analysis
Weird Energy with DF-CCSD(T) on pre-built 1.2 binary
Atom Name Error
SAPT2+ Calculations on K+, Rb+, and Cs+ complexes
How can I change max iteration in energy method?
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