Match Hartree energy
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022a >
Input 04-ACBN0_isolated.01-H_unpacked.inp
Value | Reference | Precision | Status |
3.080899600000000e-01 | 3.080899600000000e-01 | 1.540000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)