Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.598721155460225e-14 PASS
Energy [step 20] -1.059306110576121e+01 -1.059306110576122e+01 1.060000000000000e-13 1.065814103640150e-14 PASS
Multipoles [step 0] 1.416870527154446e-15 1.824331091466839e-16 4.490000000000000e-15 1.234437418007762e-15 PASS
Multipoles [step 20] -1.269354346362574e-01 -1.269354346362595e-01 3.850000000000000e-15 2.053912595556540e-15 PASS
Forces [step 0] 8.537673799433509e-02 8.537673799433354e-02 5.130000000000000e-15 1.554312234475219e-15 PASS
Forces [step 20] 7.713299237647586e-02 7.713299237647830e-02 3.860000000000000e-15 -2.442490654175344e-15 PASS
Compare to other inputs