Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.131628207280301e-14 PASS
Energy [step 20] -1.060634829657866e+01 -1.060634829657860e+01 5.300000000000000e-13 -6.394884621840902e-14 PASS
Multipoles [step 0] 2.566881826722173e-15 2.282730401188460e-15 4.670000000000000e-15 2.841514255337135e-16 PASS
Multipoles [step 20] -1.265868442788492e-01 -1.265868442788090e-01 9.620000000000000e-14 -4.019007349143067e-14 PASS
Forces [step 0] 8.537491810749165e-02 8.537491810749601e-02 8.799999999999999e-15 -4.357625371653739e-15 PASS
Forces [step 20] 7.967282081340610e-02 7.967282081340320e-02 3.150000000000000e-14 2.900457651833221e-15 PASS
Compare to other inputs