Match Hartree energy
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829191000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)