Match Hartree energy
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_intel_mpi_autotools: [intel2023a-mpi] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172762507000000e+01 | 4.172762507000000e+01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)