Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766762e+01 1.060000000000000e-13 2.486899575160351e-14 PASS
Energy [step 20] -1.060637200596971e+01 -1.060637200596971e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 2.481417964172745e-15 5.879834888021430e-16 4.510000000000000e-15 1.893434475370602e-15 PASS
Multipoles [step 20] -1.265864295118814e-01 -1.265864295118224e-01 6.900000000000000e-14 -5.903610933444270e-14 PASS
Forces [step 0] 8.537673799433199e-02 8.537673799433354e-02 1.250000000000000e-14 -1.554312234475219e-15 PASS
Forces [step 20] 7.967423673801077e-02 7.967423673803031e-02 4.640000000000000e-14 -1.953992523340276e-14 PASS
Compare to other inputs