Match Total energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel-serial: [intel2023a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
-1.390517814050000e+03 | -1.390517814050000e+03 | 6.949999999999999e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)