Match Hartree energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run eb_foss-2022a_mpi_debug >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829233000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)