Input 24-adsic_freeze_orbitals.02-td.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_mpi_min_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -2.002259026478495e+00 -2.002259026478495e+00 1.000000000000000e-04 -4.440892098500626e-16 PASS
Energy [step 100] -1.975208529592936e+00 -1.975208529592941e+00 1.000000000000000e-04 5.551115123125783e-15 PASS
Multipoles [step 0] -4.440892098500626e-15 4.218847493575595e-15 1.000000000000000e-04 -8.659739592076221e-15 PASS
Multipoles [step 100] -1.775880236283121e+00 -1.775880236283155e+00 1.000000000000000e-04 3.397282455352979e-14 PASS
Populations [step 0] 1.232595164407831e-32 0.000000000000000e+00 1.000000000000000e-04 1.232595164407831e-32 PASS
Populations [step 100] -1.723863675538926e-01 -1.723863675538920e-01 1.000000000000000e-04 -5.828670879282072e-16 PASS
Ionch [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.000000000000000e-04 -1.110223024625157e-16 PASS
Ionch [step 100] 9.999999807596133e-01 1.000000000000000e+00 1.000000000000000e-04 -1.924038672829198e-08 PASS
Projections 1-1 [step 0] -1.110223024625157e-16 0.000000000000000e+00 1.000000000000000e-04 -1.110223024625157e-16 PASS
Projections 1-1 [step 100] 7.315214730048275e-02 7.315214730048247e-02 1.000000000000000e-04 2.775557561562891e-16 PASS
Ly [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 100] -9.766493169749424e-16 8.373663656771763e-17 1.000000000000000e-04 -1.060385953542660e-15 PASS
Compare to other inputs