Match Hartree energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551475340000000e+00 | -4.551475340000001e+00 | 2.280000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)