Match Hartree energy
Commits >
Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 >
Run spack_foss-2023a_mpi_debug >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796933900000e+02 | -5.242796937400001e+02 | 7.300000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)