Match Hartree energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2023b_serial >
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)