Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-mpi-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] -2.306769742316831e+01 -2.306769742316820e+01 1.150000000000000e-12 -1.065814103640150e-13 PASS
Energy [step 50] -2.306775467908155e+01 -2.306775467908149e+01 2.310000000000000e-13 -6.039613253960852e-14 PASS
Energy [step 75] -2.306781599435073e+01 -2.306781599435064e+01 2.310000000000000e-13 -9.237055564881302e-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] 4.379017615444786e-02 4.379017615445038e-02 3.610000000000000e-15 -2.518818487118324e-15 PASS
Lx [step 50] 7.224678178818472e-03 7.224678178819371e-03 6.700000000000000e-15 -8.985867605559861e-16 PASS
Lx [step 75] -1.948226432550362e-02 -1.948226432550091e-02 5.550000000000000e-15 -2.713107516427726e-15 PASS
Lx [step 100] -3.047277365035443e-02 -3.047277365035511e-02 7.000000000000000e+00 6.800116025829084e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184675044896592e-02 -7.184675044896897e-02 3.880000000000000e-15 3.053113317719180e-15 PASS
Ly [step 50] -7.123184761551493e-03 -7.123184761548256e-03 6.950000000000000e-15 -3.236994006172722e-15 PASS
Ly [step 75] -4.172386570338881e-02 -4.172386570339066e-02 4.960000000000000e-15 1.852684672343230e-15 PASS
Ly [step 100] -5.777037007127026e-02 -5.777037007126750e-02 4.070000000000000e-15 -2.754740879851170e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.755996688405692e-02 -9.755996688405971e-02 6.400000000000000e-15 2.789435349370706e-15 PASS
Lz [step 50] 7.711998558587799e-03 7.711998558587046e-03 4.580000000000000e-15 7.528699885739343e-16 PASS
Lz [step 75] 7.208133272379055e-02 7.208133272378753e-02 5.780000000000000e-15 3.025357742103552e-15 PASS
Lz [step 100] 5.119788868443143e-02 5.119788868443480e-02 5.660000000000000e-15 -3.372302437298913e-15 PASS
Q(-2)[step 1] -4.545137226010314e+00 -4.545137226010302e+00 4.550000000000000e-14 -1.243449787580175e-14 PASS
Q(-2)[step 25] -4.611689082743376e+00 -4.611689082743363e+00 4.610000000000000e-14 -1.243449787580175e-14 PASS
Q(-2)[step 50] -4.687399395140345e+00 -4.687399395140323e+00 4.690000000000000e-14 -2.220446049250313e-14 PASS
Q(-2)[step 75] -4.392452874733475e+00 -4.392452874733464e+00 4.390000000000000e-14 -1.065814103640150e-14 PASS
Q(-2)[step 100] -4.181650789981212e+00 -4.181650789981192e+00 4.180000000000000e-14 -2.042810365310288e-14 PASS
Q(-1)[step 1] 4.178376526406830e+00 4.178376526406848e+00 4.180000000000000e-14 -1.776356839400250e-14 PASS
Q(-1)[step 25] 4.182321921047405e+00 4.182321921047410e+00 4.180000000000000e-14 -5.329070518200751e-15 PASS
Q(-1)[step 50] 4.130858295004431e+00 4.130858295004428e+00 4.130000000000000e-14 2.664535259100376e-15 PASS
Q(-1)[step 75] 4.065033999154411e+00 4.065033999154396e+00 4.070000000000000e-14 1.509903313490213e-14 PASS
Q(-1)[step 100] 4.091905436315868e+00 4.091905436315860e+00 4.090000000000000e-14 7.105427357601002e-15 PASS
Q( 0)[step 1] -7.137538508704734e+00 -7.137538508704713e+00 7.140000000000000e-14 -2.042810365310288e-14 PASS
Q( 0)[step 25] -7.469859499746002e+00 -7.469859499745980e+00 3.730000000000000e-13 -2.220446049250313e-14 PASS
Q( 0)[step 50] -7.808672080156425e+00 -7.808672080156406e+00 7.810000000000000e-14 -1.953992523340276e-14 PASS
Q( 0)[step 75] -7.739383133589478e+00 -7.739383133589480e+00 3.870000000000000e-13 1.776356839400250e-15 PASS
Q( 0)[step 100] -7.647990218749473e+00 -7.647990218749506e+00 7.650000000000000e-14 3.286260152890463e-14 PASS
Q( 1)[step 1] -4.826117423972637e+00 -4.826117423972624e+00 4.830000000000000e-14 -1.243449787580175e-14 PASS
Q( 1)[step 25] -4.732913099704434e+00 -4.732913099704414e+00 4.730000000000000e-14 -2.042810365310288e-14 PASS
Q( 1)[step 50] -4.489483009608314e+00 -4.489483009608300e+00 4.490000000000000e-14 -1.421085471520200e-14 PASS
Q( 1)[step 75] -4.327506323667967e+00 -4.327506323667949e+00 4.330000000000000e-14 -1.776356839400250e-14 PASS
Q( 1)[step 100] -4.287562363821920e+00 -4.287562363821902e+00 4.290000000000000e-14 -1.776356839400250e-14 PASS
Q( 2)[step 1] 1.189093313557994e+01 1.189093313558002e+01 1.190000000000000e-13 -7.638334409421077e-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 -5.329070518200751e-15 PASS
Q( 2)[step 75] 1.272940168424051e+01 1.272940168424052e+01 1.270000000000000e-13 -1.243449787580175e-14 PASS
Q( 2)[step 100] 1.255123999562221e+01 1.255123999562224e+01 1.260000000000000e-13 -2.842170943040401e-14 PASS
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