Match Total energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-min-parallel: [intel2022a-mpi] >
Input 18-mgga.02-br89_oep.inp
Value | Reference | Precision | Status |
-6.750560430000000e+00 | -6.750524599999999e+00 | 5.220000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)