Match Hartree energy
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run cmake_foss_2022a_full_mpi >
Input 15-calcium_psp8_sic.01-gs.inp
Value | Reference | Precision | Status |
1.547828800000000e-01 | 1.547828500000000e-01 | 3.000000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)