Match Kinetic energy
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2022a_ppc >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.516823710000001e+00 | 9.516823850000000e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)