Match Hartree energy
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2022a_mpi >
Input 14-fullerene_unpacked.01-gs.inp
| Value | Reference | Precision | Status |
| 3.988936436560000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)