Match Hartree energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936983820000e+03 | 3.988936987400000e+03 | 4.670000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)