Match Hartree energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_autotools: [intel2023a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778780000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)