Match Hartree energy
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2023a_serial_omp >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796934199999e+02 | -5.242796937400001e+02 | 7.300000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)