Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.598721155460225e-14 PASS
Energy [step 20] -1.060634829657865e+01 -1.060634829657860e+01 5.300000000000000e-13 -4.618527782440651e-14 PASS
Multipoles [step 0] -1.420711204930258e-15 2.282730401188460e-15 4.670000000000000e-15 -3.703441606118718e-15 PASS
Multipoles [step 20] -1.265868442788918e-01 -1.265868442788090e-01 9.620000000000000e-14 -8.279488206142105e-14 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.799999999999999e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.967282081342786e-02 7.967282081340320e-02 3.150000000000000e-14 2.466082893448629e-14 PASS
Compare to other inputs