Match Hartree energy
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_foss-2023a_serial_opt >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936437660000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)