Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-serial-debug: [foss2023a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778697000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)