Match Hartree energy
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 11-isotopes.01-deuterium.inp
Value | Reference | Precision | Status |
2.955577600000000e-01 | 2.955485500000000e-01 | 3.000000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)