Match Eigenvalue 5
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run spack_foss-2022a_serial_min >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-2.990300000000000e-01 | -2.990300000000000e-01 | 1.500000000000000e-04 | PASS |
Command: GREPFIELD(static/info, ' 5 --', 3)