Match Hartree energy
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run intel-2022b >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641776925000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)