Match Hartree energy
Commits >
Commit e7a2691383642ecf56f17c5ca9d2debd1d27e53e >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.828467898000000e+01 | 6.828467759000000e+01 | 1.900000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)