Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589528e+01 -2.319596313589528e+01 2.320000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 25] -2.306769742316832e+01 -2.306769742316820e+01 1.150000000000000e-12 -1.207922650792170e-13 PASS
Energy [step 50] -2.306775467908155e+01 -2.306775467908149e+01 2.310000000000000e-13 -6.394884621840902e-14 PASS
Energy [step 75] -2.306781599435073e+01 -2.306781599435064e+01 2.310000000000000e-13 -8.881784197001252e-14 PASS
Energy [step 100] -2.306787047825564e+01 -2.306787047825554e+01 2.310000000000000e-13 -9.592326932761353e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379017615444868e-02 4.379017615445038e-02 3.610000000000000e-15 -1.693090112553364e-15 PASS
Lx [step 50] 7.224678178817626e-03 7.224678178819371e-03 6.700000000000000e-15 -1.745131816832668e-15 PASS
Lx [step 75] -1.948226432550160e-02 -1.948226432550091e-02 5.550000000000000e-15 -6.869504964868156e-16 PASS
Lx [step 100] -3.047277365035034e-02 -3.047277365035511e-02 7.000000000000000e+00 4.773959005888173e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184675044897250e-02 -7.184675044896897e-02 3.880000000000000e-15 -3.524958103184872e-15 PASS
Ly [step 50] -7.123184761554574e-03 -7.123184761548256e-03 6.950000000000000e-15 -6.317862899507531e-15 PASS
Ly [step 75] -4.172386570338857e-02 -4.172386570339066e-02 4.960000000000000e-15 2.095545958979983e-15 PASS
Ly [step 100] -5.777037007126758e-02 -5.777037007126750e-02 4.070000000000000e-15 -8.326672684688674e-17 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.755996688405960e-02 -9.755996688405971e-02 6.400000000000000e-15 1.110223024625157e-16 PASS
Lz [step 50] 7.711998558583538e-03 7.711998558587046e-03 4.580000000000000e-15 -3.507610868425104e-15 PASS
Lz [step 75] 7.208133272378671e-02 7.208133272378753e-02 5.780000000000000e-15 -8.187894806610529e-16 PASS
Lz [step 100] 5.119788868443406e-02 5.119788868443480e-02 5.660000000000000e-15 -7.424616477180734e-16 PASS
Q(-2)[step 1] -4.545137226010315e+00 -4.545137226010302e+00 4.550000000000000e-14 -1.332267629550188e-14 PASS
Q(-2)[step 25] -4.611689082743377e+00 -4.611689082743363e+00 4.610000000000000e-14 -1.332267629550188e-14 PASS
Q(-2)[step 50] -4.687399395140343e+00 -4.687399395140323e+00 4.690000000000000e-14 -1.953992523340276e-14 PASS
Q(-2)[step 75] -4.392452874733469e+00 -4.392452874733464e+00 4.390000000000000e-14 -5.329070518200751e-15 PASS
Q(-2)[step 100] -4.181650789981209e+00 -4.181650789981192e+00 4.180000000000000e-14 -1.687538997430238e-14 PASS
Q(-1)[step 1] 4.178376526406838e+00 4.178376526406848e+00 4.180000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 25] 4.182321921047406e+00 4.182321921047410e+00 4.180000000000000e-14 -3.552713678800501e-15 PASS
Q(-1)[step 50] 4.130858295004426e+00 4.130858295004428e+00 4.130000000000000e-14 -1.776356839400250e-15 PASS
Q(-1)[step 75] 4.065033999154408e+00 4.065033999154396e+00 4.070000000000000e-14 1.154631945610163e-14 PASS
Q(-1)[step 100] 4.091905436315865e+00 4.091905436315860e+00 4.090000000000000e-14 4.440892098500626e-15 PASS
Q( 0)[step 1] -7.137538508704723e+00 -7.137538508704713e+00 7.140000000000000e-14 -9.769962616701378e-15 PASS
Q( 0)[step 25] -7.469859499745989e+00 -7.469859499745980e+00 3.730000000000000e-13 -8.881784197001252e-15 PASS
Q( 0)[step 50] -7.808672080156413e+00 -7.808672080156406e+00 7.810000000000000e-14 -7.105427357601002e-15 PASS
Q( 0)[step 75] -7.739383133589471e+00 -7.739383133589480e+00 3.870000000000000e-13 8.881784197001252e-15 PASS
Q( 0)[step 100] -7.647990218749473e+00 -7.647990218749506e+00 7.650000000000000e-14 3.286260152890463e-14 PASS
Q( 1)[step 1] -4.826117423972621e+00 -4.826117423972624e+00 4.830000000000000e-14 2.664535259100376e-15 PASS
Q( 1)[step 25] -4.732913099704419e+00 -4.732913099704414e+00 4.730000000000000e-14 -5.329070518200751e-15 PASS
Q( 1)[step 50] -4.489483009608307e+00 -4.489483009608300e+00 4.490000000000000e-14 -7.105427357601002e-15 PASS
Q( 1)[step 75] -4.327506323667959e+00 -4.327506323667949e+00 4.330000000000000e-14 -9.769962616701378e-15 PASS
Q( 1)[step 100] -4.287562363821920e+00 -4.287562363821902e+00 4.290000000000000e-14 -1.865174681370263e-14 PASS
Q( 2)[step 1] 1.189093313557996e+01 1.189093313558002e+01 1.190000000000000e-13 -6.394884621840902e-14 PASS
Q( 2)[step 25] 1.233960558678197e+01 1.233960558678198e+01 1.230000000000000e-13 -8.881784197001252e-15 PASS
Q( 2)[step 50] 1.278020775793098e+01 1.278020775793098e+01 1.280000000000000e-13 -1.776356839400250e-15 PASS
Q( 2)[step 75] 1.272940168424051e+01 1.272940168424052e+01 1.270000000000000e-13 -1.243449787580175e-14 PASS
Q( 2)[step 100] 1.255123999562222e+01 1.255123999562224e+01 1.260000000000000e-13 -1.776356839400250e-14 PASS
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