Match Hartree energy
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run eb_foss-2022a_mpi >
Input 13-primitive.03-bcc_iron.inp
Value | Reference | Precision | Status |
3.271841312000000e+01 | 3.271841312000000e+01 | 1.640000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)