Match Hartree energy
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829106000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)