Input 01-cosh_2e_1d.02-td.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.271322167167126e+00 -1.271322167167000e+00 1.000000000000000e-04 -1.254552017826427e-13 PASS
Energy [step 50] -1.261322168663081e+00 -1.261322168663000e+00 1.000000000000000e-04 -8.082423619271140e-14 PASS
Energy [step 100] -1.261322168663112e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.116884362772907e-13 PASS
Energy [step 150] -1.261322168663142e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.416644579421700e-13 PASS
Energy [step 200] -1.261322168663170e+00 -1.261322168663000e+00 1.000000000000000e-04 -1.696420781627239e-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