Input 01-propagators.04-etrs_lanczos.inp

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 20] -1.060637200596971e+01 -1.060637200596971e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 0] 1.824339507586203e-15 5.879834888021430e-16 4.510000000000000e-15 1.236356018784060e-15 PASS
Multipoles [step 20] -1.265864295118311e-01 -1.265864295118224e-01 6.900000000000000e-14 -8.743006318923108e-15 PASS
Forces [step 0] 8.537673799433376e-02 8.537673799433354e-02 1.250000000000000e-14 2.220446049250313e-16 PASS
Forces [step 20] 7.967423673800411e-02 7.967423673803031e-02 4.640000000000000e-14 -2.620126338115369e-14 PASS
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