Match Hartree energy
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
6.828467744000000e+01 | 6.828467787000000e+01 | 4.730000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)