Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2023a-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936977070000e+03 | 3.988936987400000e+03 | 1.800000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)