Match Hartree energy
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Run spack_foss-2023a_mpi_opt >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829171000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)