Input 24-adsic_freeze_orbitals.02-td.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run intel-serial: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -2.013509098871798e+00 -2.013509098871892e+00 1.150000000000000e-13 9.370282327836321e-14 PASS
Energy [step 100] -1.989121104550134e+00 -1.989121104550150e+00 4.510000000000000e-14 1.620925615952729e-14 PASS
Multipoles [step 0] -4.555175762362960e-15 4.218847493575595e-15 1.000000000000000e-04 -8.774023255938554e-15 PASS
Multipoles [step 100] -1.612839439177040e+00 -1.612839439176902e+00 1.660000000000000e-13 -1.378896996584444e-13 PASS
Populations [step 0] 1.208702691125675e-34 0.000000000000000e+00 1.000000000000000e-04 1.208702691125675e-34 PASS
Populations [step 100] -1.748307636292353e-01 -1.748307636292393e-01 5.950000000000000e-13 4.024558464266192e-15 PASS
Ionch [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.000000000000000e-04 -1.110223024625157e-16 PASS
Ionch [step 100] 9.999999796208358e-01 1.000000000000000e+00 1.000000000000000e-04 -2.037916424502129e-08 PASS
Projections 1-1 [step 0] -1.099410156004425e-17 0.000000000000000e+00 1.000000000000000e-04 -1.099410156004425e-17 PASS
Projections 1-1 [step 100] 5.184501854147076e-02 5.184501854148654e-02 2.760000000000000e-13 -1.577904473748504e-14 PASS
Ly [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 100] -2.316492355060057e-16 8.373663656771763e-17 1.000000000000000e-04 -3.153858720737233e-16 PASS
Compare to other inputs