Match Hartree energy
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Run cmake_foss_2022a_full_mpi >
Input 22-vdw_d3_stress.01-Be_hpc.inp
Value | Reference | Precision | Status |
2.808160910000000e+00 | 2.808160820000000e+00 | 2.580000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)