Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_opt_autotools: [foss2023a-serial] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.643666978000000e+01 | 4.643667351000000e+01 | 9.860000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)