Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_intel-2022a_impi_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 -7.993605777301127e-14 PASS
Multipoles [step 0] 4.397763403440891e-15 2.282730401188460e-15 4.670000000000000e-15 2.115033002252431e-15 PASS
Multipoles [step 20] -1.265868442788731e-01 -1.265868442788090e-01 9.620000000000000e-14 -6.405986852087153e-14 PASS
Forces [step 0] 8.537491810749076e-02 8.537491810749601e-02 8.799999999999999e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.967282081343185e-02 7.967282081340320e-02 3.150000000000000e-14 2.865763182313685e-14 PASS
Compare to other inputs