Match Exchange energy
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_mpi_min >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-7.529513700000000e-01 | -7.529513600000000e-01 | 3.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)