Match Hartree energy
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_mpi_min >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641776762000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)