Match Kinetic energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_cuda_serial >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 9.516823010000000e+00 | 9.516823850000000e+00 | 4.760000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Kinetic =', 3)