Match Exchange energy
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-3.067813600000000e-01 | -3.067869100000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)