Match Hartree energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run eb_foss-2022b_libxc6_mpi >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936436570000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)