Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205384e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.552713678800501e-14 PASS
Energy [step 20] -1.060634829657868e+01 -1.060634829657860e+01 5.300000000000000e-13 -7.815970093361102e-14 PASS
Multipoles [step 0] -6.182695346901127e-16 2.282730401188460e-15 4.670000000000000e-15 -2.900999935878573e-15 PASS
Multipoles [step 20] -1.265868442788591e-01 -1.265868442788090e-01 9.620000000000000e-14 -5.009881398621019e-14 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.967282081340610e-02 7.967282081340320e-02 3.150000000000000e-14 2.900457651833221e-15 PASS
Compare to other inputs