Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589529e+01 -2.319596313589528e+01 2.320000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 25] -2.306769742316830e+01 -2.306769742316820e+01 1.150000000000000e-12 -9.947598300641403e-14 PASS
Energy [step 50] -2.306775467908153e+01 -2.306775467908149e+01 2.310000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 75] -2.306781599435073e+01 -2.306781599435064e+01 2.310000000000000e-13 -8.526512829121202e-14 PASS
Energy [step 100] -2.306787047825562e+01 -2.306787047825554e+01 2.310000000000000e-13 -8.526512829121202e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379017615444869e-02 4.379017615445038e-02 3.610000000000000e-15 -1.686151218649456e-15 PASS
Lx [step 50] 7.224678178819194e-03 7.224678178819371e-03 6.700000000000000e-15 -1.769417945496343e-16 PASS
Lx [step 75] -1.948226432549902e-02 -1.948226432550091e-02 5.550000000000000e-15 1.894318035766673e-15 PASS
Lx [step 100] -3.047277365035284e-02 -3.047277365035511e-02 7.000000000000000e+00 2.269018306577664e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184675044896545e-02 -7.184675044896897e-02 3.880000000000000e-15 3.524958103184872e-15 PASS
Ly [step 50] -7.123184761548995e-03 -7.123184761548256e-03 6.950000000000000e-15 -7.389922007661198e-16 PASS
Ly [step 75] -4.172386570338715e-02 -4.172386570339066e-02 4.960000000000000e-15 3.511080315377058e-15 PASS
Ly [step 100] -5.777037007126561e-02 -5.777037007126750e-02 4.070000000000000e-15 1.894318035766673e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.755996688405624e-02 -9.755996688405971e-02 6.400000000000000e-15 3.469446951953614e-15 PASS
Lz [step 50] 7.711998558587591e-03 7.711998558587046e-03 4.580000000000000e-15 5.447031714567174e-16 PASS
Lz [step 75] 7.208133272378267e-02 7.208133272378753e-02 5.780000000000000e-15 -4.857225732735060e-15 PASS
Lz [step 100] 5.119788868443328e-02 5.119788868443480e-02 5.660000000000000e-15 -1.526556658859590e-15 PASS
Q(-2)[step 1] -4.545137226010313e+00 -4.545137226010302e+00 4.550000000000000e-14 -1.154631945610163e-14 PASS
Q(-2)[step 25] -4.611689082743375e+00 -4.611689082743363e+00 4.610000000000000e-14 -1.154631945610163e-14 PASS
Q(-2)[step 50] -4.687399395140335e+00 -4.687399395140323e+00 4.690000000000000e-14 -1.154631945610163e-14 PASS
Q(-2)[step 75] -4.392452874733472e+00 -4.392452874733464e+00 4.390000000000000e-14 -7.993605777301127e-15 PASS
Q(-2)[step 100] -4.181650789981211e+00 -4.181650789981192e+00 4.180000000000000e-14 -1.953992523340276e-14 PASS
Q(-1)[step 1] 4.178376526406823e+00 4.178376526406848e+00 4.180000000000000e-14 -2.486899575160351e-14 PASS
Q(-1)[step 25] 4.182321921047400e+00 4.182321921047410e+00 4.180000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 50] 4.130858295004437e+00 4.130858295004428e+00 4.130000000000000e-14 8.881784197001252e-15 PASS
Q(-1)[step 75] 4.065033999154419e+00 4.065033999154396e+00 4.070000000000000e-14 2.309263891220326e-14 PASS
Q(-1)[step 100] 4.091905436315893e+00 4.091905436315860e+00 4.090000000000000e-14 3.286260152890463e-14 PASS
Q( 0)[step 1] -7.137538508704735e+00 -7.137538508704713e+00 7.140000000000000e-14 -2.220446049250313e-14 PASS
Q( 0)[step 25] -7.469859499746009e+00 -7.469859499745980e+00 3.730000000000000e-13 -2.842170943040401e-14 PASS
Q( 0)[step 50] -7.808672080156433e+00 -7.808672080156406e+00 7.810000000000000e-14 -2.753353101070388e-14 PASS
Q( 0)[step 75] -7.739383133589484e+00 -7.739383133589480e+00 3.870000000000000e-13 -3.552713678800501e-15 PASS
Q( 0)[step 100] -7.647990218749446e+00 -7.647990218749506e+00 7.650000000000000e-14 5.950795411990839e-14 PASS
Q( 1)[step 1] -4.826117423972637e+00 -4.826117423972624e+00 4.830000000000000e-14 -1.243449787580175e-14 PASS
Q( 1)[step 25] -4.732913099704426e+00 -4.732913099704414e+00 4.730000000000000e-14 -1.243449787580175e-14 PASS
Q( 1)[step 50] -4.489483009608297e+00 -4.489483009608300e+00 4.490000000000000e-14 2.664535259100376e-15 PASS
Q( 1)[step 75] -4.327506323667945e+00 -4.327506323667949e+00 4.330000000000000e-14 3.552713678800501e-15 PASS
Q( 1)[step 100] -4.287562363821896e+00 -4.287562363821902e+00 4.290000000000000e-14 5.329070518200751e-15 PASS
Q( 2)[step 1] 1.189093313557997e+01 1.189093313558002e+01 1.190000000000000e-13 -5.329070518200751e-14 PASS
Q( 2)[step 25] 1.233960558678202e+01 1.233960558678198e+01 1.230000000000000e-13 4.263256414560601e-14 PASS
Q( 2)[step 50] 1.278020775793099e+01 1.278020775793098e+01 1.280000000000000e-13 7.105427357601002e-15 PASS
Q( 2)[step 75] 1.272940168424051e+01 1.272940168424052e+01 1.270000000000000e-13 -7.105427357601002e-15 PASS
Q( 2)[step 100] 1.255123999562222e+01 1.255123999562224e+01 1.260000000000000e-13 -1.953992523340276e-14 PASS
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