Match Total energy
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2022a_cuda_mpi_omp >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
2.021960200000000e+00 | 2.021960180000000e+00 | 1.010000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)