Match Hartree energy
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829136000000e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)