Match Eigenvalue 6
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a_omp >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.811100000000000e-02 | 2.811100000000000e-02 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 6 --', 3)