Match Hartree energy
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run intel_autotools: [intel2023a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788828882999999e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)