Input 19-td_move_ions.04-td_velocity.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
X Coordinate Atom 1 [step 40] 1.472000000000004e-01 1.472000000000000e-01 5.000000000000000e-16 4.440892098500626e-16 PASS
Y Coordinate Atom 1 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
Z Coordinate Atom 1 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
X Coordinate Atom 2 [step 40] 5.000000000000000e-01 5.000000000000000e-01 1.110000000000000e-16 0.000000000000000e+00 PASS
Y Coordinate Atom 2 [step 40] 3.236000000000001e-01 3.236000000000000e-01 5.000000000000000e-16 5.551115123125783e-17 PASS
Z Coordinate Atom 2 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
X Velocity Atom 1 [step 40] 1.618000000000000e-01 1.618000000000000e-01 1.110000000000000e-16 0.000000000000000e+00 PASS
Y Velocity Atom 1 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
Z Velocity Atom 1 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
X Velocity Atom 2 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
Y Velocity Atom 2 [step 40] 8.090000000000000e-02 8.090000000000000e-02 1.110000000000000e-16 0.000000000000000e+00 PASS
Z Velocity Atom 2 [step 40] 0.000000000000000e+00 0.000000000000000e+00 1.110000000000000e-16 0.000000000000000e+00 PASS
Compare to other inputs