Input 24-adsic_freeze_orbitals.02-td.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_omp_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -2.013509098871792e+00 -2.013509098871849e+00 6.590000000000000e-14 5.684341886080801e-14 PASS
Energy [step 100] -1.989121104550114e+00 -1.989121104550133e+00 2.370000000000000e-14 1.887379141862766e-14 PASS
Multipoles [step 0] -3.012583364649600e-15 4.218847493575595e-15 1.000000000000000e-04 -7.231430858225195e-15 PASS
Multipoles [step 100] -1.612839439177031e+00 -1.612839439176942e+00 1.170000000000000e-13 -8.903988657493755e-14 PASS
Populations [step 0] 3.713680094261810e-35 0.000000000000000e+00 1.000000000000000e-04 3.713680094261810e-35 PASS
Populations [step 100] -1.748307636292377e-01 -1.748307636292393e-01 5.950000000000000e-13 1.637578961322106e-15 PASS
Ionch [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.000000000000000e-04 -1.110223024625157e-16 PASS
Ionch [step 100] 9.999999796208360e-01 1.000000000000000e+00 1.000000000000000e-04 -2.037916402297668e-08 PASS
Projections 1-1 [step 0] -6.093997123614196e-18 0.000000000000000e+00 1.000000000000000e-04 -6.093997123614196e-18 PASS
Projections 1-1 [step 100] 5.184501854146151e-02 5.184501854148654e-02 2.760000000000000e-13 -2.503552920529728e-14 PASS
Ly [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 100] -1.153864015232939e-15 8.373663656771763e-17 1.000000000000000e-04 -1.237600651800657e-15 PASS
Compare to other inputs