Match Kinetic energy
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Run spack_foss-2023a_mpi_debug >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.516823980000000e+00 | 9.516823850000000e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)