Match Hartree energy
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_foss-2023a_serial >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.223230991100000e+02 | -5.223230991099999e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)