Match Hartree energy
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_intel-2022a_impi_omp >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936437040000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)