Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634829657868e+01 -1.060634829657860e+01 5.300000000000000e-13 -7.460698725481052e-14 PASS
Multipoles [step 0] 2.161271162037792e-15 2.282730401188460e-15 4.670000000000000e-15 -1.214592391506677e-16 PASS
Multipoles [step 20] -1.265868442788166e-01 -1.265868442788090e-01 9.620000000000000e-14 -7.605027718682322e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.967282081342386e-02 7.967282081340320e-02 3.150000000000000e-14 2.066402604583573e-14 PASS
Compare to other inputs