Match Eigenvalue 1
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -7.571590000000000e-01 | -7.571610000000000e-01 | 3.790000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 --', 3)