Match Hartree energy
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936977070000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)