Match Hartree energy
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run cmake_foss_2022a_full_serial >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641777091000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)