Match Hartree energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215349100000e+02 | 1.205215349100000e+02 | 6.030000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)