Match Total energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial-debug: [intel2023a-serial] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
-1.840216667600000e+02 | -1.840216667800000e+02 | 1.100000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)