Input 01-cosh_2e_1d.02-td.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167142e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.416644579421700e-13 PASS
Energy [step 50] -1.261322168663093e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.303668946358812e-14 PASS
Energy [step 100] -1.261322168663124e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.234568003383174e-13 PASS
Energy [step 150] -1.261322168663150e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.501021529293212e-13 PASS
Energy [step 200] -1.261322168663185e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.849631559025511e-13 PASS
Density matrix [step 50] 8.223000000000000e-01 8.223000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 100] 8.215000000000000e-01 8.215000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 150] 8.210000000000000e-01 8.210000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix [step 200] 8.206000000000000e-01 8.206000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Compare to other inputs