Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel-serial: [intel2023a-serial] >
Input 15-calcium_psp8_sic.01-gs.inp
Value | Reference | Precision | Status |
1.547828800000000e-01 | 1.547828500000000e-01 | 3.000000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)