Input 06-restart.06-td_calc.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2022a_cuda_serial

Matches

Name	Value	Reference	Precision	Difference	Status
TD start	3.500000000000000e-01	3.500000000000000e-01	4.260000000000000e-05	5.551115123125783e-17	PASS
charge [up]	0.000000000000000e+00	0.000000000000000e+00	4.260000000000000e-05	0.000000000000000e+00	PASS
charge [dn]	9.999999999991419e-01	9.999999999991001e-01	4.260000000000000e-05	4.185540802836840e-14	PASS
<x> [dn]	-3.495466396384612e-03	-3.495466780114000e-03	4.260000000000000e-05	3.837293876748915e-10	PASS

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