Match Hartree energy
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
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)