Match Eigenvalue 6
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_foss-2022a_cuda_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.810900000000000e-02 | 2.811100000000000e-02 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 6 --', 3)