Match Hartree energy
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158349200000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)