Match Hartree energy
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.828467784999999e+01 | 6.828467759000000e+01 | 1.900000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)