Match Kinetic energy
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run eb_fosscuda-2022a >
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)