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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
Frequency calculations result in `<built-in method X of PyCapsule object at Y> returned NULL without setting an error` 15 October 17, 2019
GPU_DFCC not running due to error 6 October 11, 2019
Solvent Model Calculation 3 October 11, 2019
Sequential calculations in single python function 5 October 9, 2019
The def2-tzvp basis set in psi4 is different from that downloaded from the web of Basis Set Exchange 3 October 9, 2019
Orbital Localization and Post Processing 1 October 5, 2019
Use .xyz file as input coordinate 2 October 5, 2019
Density Fit CCSD(T) with UHF reference? 2 October 3, 2019
How to user-define a DF_BASIS_DCFT basis in PSI4 6 October 3, 2019
Multithreading in downloaded binary distribution 10 September 29, 2019
Basis set Assignment problem 7 September 28, 2019
Geometry optimization of Si3H8 molecule at CCSD(T) level of theory is getting truncated 4 September 25, 2019
Regarding CISD calculation 9 September 24, 2019
MOM without orbital number 7 September 23, 2019
CEPA(0) Singles 13 September 23, 2019
Excited State Diagnostics for CC2 2 September 21, 2019
Torsiondrive crashes with basis dzvp and b3lyp-d3bj method 5 September 14, 2019
EDA analysis with psi4 17 September 13, 2019
Is my T2 truncation scheme for CCSD a good idea? 9 August 30, 2019
Beginner question: `wfn_return` gives same wfn for scf and mp2 calculation 7 August 27, 2019
Frequency Calculation Stalls in JupyterNotebook / Python interpreter 3 August 15, 2019
X2C big 1-norm and reference wavefunction dependency 2 August 7, 2019
Sow in driver.optimize() 3 August 6, 2019
Psi4conda-1.3.2-py37-Linux-x86_64 installation problem 5 August 5, 2019
SCF guess read ---fresh man 20 September 27, 2019
How to obtain correct HF energy from matrices 11 July 25, 2019
Possible to port on GPU (CUDA)? 4 July 23, 2019
How to technically use fractional nuclear charges 1 July 23, 2019