Input 19-td_move_ions.03-td_restart.inp

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 15]	-2.964474538961854e+01	-2.964474538961837e+01	2.960000000000000e-13	-1.669775429036235e-13	PASS
Energy [step 20]	-2.964503220053341e+01	-2.964503220053346e+01	4.010000000000000e-13	4.618527782440651e-14	PASS
X Coordinate Atom 1 [step 30]	-2.649896980829333e-01	-2.649896980829332e-01	2.650000000000000e-15	-5.551115123125783e-17	PASS
X Coordinate Atom 1 [step 40]	-2.653008989864650e-01	-2.653008989864650e-01	2.650000000000000e-15	0.000000000000000e+00	PASS
X Velocity Atom 1 [step 30]	-7.266026196629934e-03	-7.266026196629959e-03	7.270000000000000e-17	2.515349040166370e-17	PASS
X Velocity Atom 1 [step 40]	-9.667898945156399e-03	-9.667898945156423e-03	9.670000000000000e-17	2.428612866367530e-17	PASS
X Force Atom 1 [step 30]	-1.580386417602336e+01	-1.580386417602335e+01	1.580000000000000e-13	-7.105427357601002e-15	PASS
X Force Atom 1 [step 40]	-1.570779273623161e+01	-1.570779273623162e+01	1.570000000000000e-13	1.421085471520200e-14	PASS