Match Hartree energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.827684791000000e+01 | 6.827684844000001e+01 | 3.660000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)