Match Hartree energy
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2023a_mpi_debug >
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)