Match Hartree energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.827684747000001e+01 | 6.827684844000001e+01 | 3.660000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)