Match Hartree energy
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Run spack_foss-2022a_serial_opt >
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)