Match Hartree energy
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_mpi_min >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641776762000000e+01 | 4.641776690000000e+01 | 8.690000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)