Match Hartree energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.827684726000000e+01 | 6.827684844000001e+01 | 3.660000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)