Match Hartree energy
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 02-ACBN0.02-lif.inp
Value | Reference | Precision | Status |
8.279869789999999e+00 | 8.279869789999999e+00 | 4.140000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)