Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial: [intel2023a-serial] >
Input 10-intersite.02-silicon.inp
Value | Reference | Precision | Status |
1.729323342000000e+01 | 1.729323236000000e+01 | 1.900000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)