Match Hartree energy
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_foss-2023a_mpi_opt >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936438030000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)