Input 01-cosh_2e_1d.02-td.inp

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Run eb_fosscuda-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167119e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.192379528447418e-13 PASS
Energy [step 50] -1.261322168663075e+00 -1.261322168663000e+00 1.000000000000000e-04 -7.460698725481052e-14 PASS
Energy [step 100] -1.261322168663104e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.041389197098397e-13 PASS
Energy [step 150] -1.261322168663134e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.334488075599438e-13 PASS
Energy [step 200] -1.261322168663161e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.607602939657227e-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