Match Kinetic energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_intel-2022a_serial_omp >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.517203540000001e+00 | 9.517203609999999e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)