Input 19-td_move_ions.03-td_restart.inp

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 15]	-2.964474558355791e+01	-2.964474558355800e+01	1.480000000000000e-12	8.881784197001252e-14	PASS
Energy [step 20]	-2.964503239906141e+01	-2.964503239906140e+01	1.480000000000000e-12	-1.421085471520200e-14	PASS
X Coordinate Atom 1 [step 30]	-2.649896981154232e-01	-2.649896981154230e-01	1.320000000000000e-14	-1.665334536937735e-16	PASS
X Coordinate Atom 1 [step 40]	-2.653008990442349e-01	-2.653008990442350e-01	1.330000000000000e-15	5.551115123125783e-17	PASS
X Velocity Atom 1 [step 30]	-7.266026786240490e-03	-7.266026786240481e-03	3.630000000000000e-16	-9.540979117872439e-18	PASS
X Velocity Atom 1 [step 40]	-9.667899731334605e-03	-9.667899731334591e-03	4.830000000000000e-17	-1.387778780781446e-17	PASS
X Force Atom 1 [step 30]	-1.580386546612299e+01	-1.580386546611800e+01	7.900000000000000e-12	-4.995115432393504e-12	PASS
X Force Atom 1 [step 40]	-1.570779402524339e+01	-1.570779402524340e+01	1.600000000000000e-13	8.881784197001252e-15	PASS