Match Hartree energy
Commits >
Commit 26e63ce6623e1d4b39697bebbd513dd45521ca85 >
Run spack_foss-2022a_serial_debug >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641777268000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)