Match Hartree energy
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2023a_mpi_omp >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.224848078700001e+02 | -5.224848078699999e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)