Match Hartree energy
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172762505000000e+01 | 4.172762507000000e+01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)