Match Total energy
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_cuda_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)