Match Hartree energy
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2022a_mpi_min >
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)