Match Hartree energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_omp_autotools: [intel2023a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778699000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)