Match Hartree energy
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_mpi_opt >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829105000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)