Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167137e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.365574320288943e-13 PASS
Energy [step 50] -1.261322168663094e+00 -1.261322168663000e+00 1.000000000000000e-04 -9.392486788328824e-14 PASS
Energy [step 100] -1.261322168663123e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.230127111284673e-13 PASS
Energy [step 150] -1.261322168663153e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.529887327933466e-13 PASS
Energy [step 200] -1.261322168663183e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.831867990631508e-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