Match Hartree energy
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778696000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)