Match Hartree energy
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2023b_serial >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829148000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)