Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -2.319596313589521e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | 6.750155989720952e-14 | PASS |
Energy [step 25] | -2.306769742316825e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -4.973799150320701e-14 | PASS |
Energy [step 50] | -2.306775467908147e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | 1.776356839400250e-14 | PASS |
Energy [step 75] | -2.306781599435070e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | -6.039613253960852e-14 | PASS |
Energy [step 100] | -2.306787047825557e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | -2.842170943040401e-14 | PASS |
Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lx [step 25] | 4.379017615444997e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | -4.093947403305265e-16 | PASS |
Lx [step 50] | 7.224678178815863e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | -3.507610868425104e-15 | PASS |
Lx [step 75] | -1.948226432550487e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | -3.962108419131027e-15 | PASS |
Lx [step 100] | -3.047277365035923e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | -4.121702978920894e-15 | PASS |
Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Ly [step 25] | -7.184675044896995e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | -9.714451465470120e-16 | PASS |
Ly [step 50] | -7.123184761550078e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | -1.821459649775647e-15 | PASS |
Ly [step 75] | -4.172386570339226e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | -1.595945597898663e-15 | PASS |
Ly [step 100] | -5.777037007126384e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | 3.663735981263017e-15 | PASS |
Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lz [step 25] | -9.755996688405695e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | 2.761679773755077e-15 | PASS |
Lz [step 50] | 7.711998558590907e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | 3.861494457524373e-15 | PASS |
Lz [step 75] | 7.208133272379066e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | 3.136380044566067e-15 | PASS |
Lz [step 100] | 5.119788868443863e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | 3.823330541052883e-15 | PASS |
Q(-2)[step 1] | -4.545137226010315e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | -1.332267629550188e-14 | PASS |
Q(-2)[step 25] | -4.611689082743379e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -1.509903313490213e-14 | PASS |
Q(-2)[step 50] | -4.687399395140348e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -2.486899575160351e-14 | PASS |
Q(-2)[step 75] | -4.392452874733470e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -6.217248937900877e-15 | PASS |
Q(-2)[step 100] | -4.181650789981205e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -1.332267629550188e-14 | PASS |
Q(-1)[step 1] | 4.178376526406849e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | 8.881784197001252e-16 | PASS |
Q(-1)[step 25] | 4.182321921047421e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | 1.154631945610163e-14 | PASS |
Q(-1)[step 50] | 4.130858295004450e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | 2.220446049250313e-14 | PASS |
Q(-1)[step 75] | 4.065033999154415e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | 1.865174681370263e-14 | PASS |
Q(-1)[step 100] | 4.091905436315871e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | 1.065814103640150e-14 | PASS |
Q( 0)[step 1] | -7.137538508704702e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | 1.154631945610163e-14 | PASS |
Q( 0)[step 25] | -7.469859499745992e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -1.154631945610163e-14 | PASS |
Q( 0)[step 50] | -7.808672080156413e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | -7.105427357601002e-15 | PASS |
Q( 0)[step 75] | -7.739383133589476e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 4.440892098500626e-15 | PASS |
Q( 0)[step 100] | -7.647990218749460e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 4.529709940470639e-14 | PASS |
Q( 1)[step 1] | -4.826117423972629e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -4.440892098500626e-15 | PASS |
Q( 1)[step 25] | -4.732913099704422e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -8.881784197001252e-15 | PASS |
Q( 1)[step 50] | -4.489483009608302e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -1.776356839400250e-15 | PASS |
Q( 1)[step 75] | -4.327506323667949e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | 0.000000000000000e+00 | PASS |
Q( 1)[step 100] | -4.287562363821905e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -3.552713678800501e-15 | PASS |
Q( 2)[step 1] | 1.189093313557995e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -7.460698725481052e-14 | PASS |
Q( 2)[step 25] | 1.233960558678198e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | -3.552713678800501e-15 | PASS |
Q( 2)[step 50] | 1.278020775793097e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | -1.421085471520200e-14 | PASS |
Q( 2)[step 75] | 1.272940168424050e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | -2.131628207280301e-14 | PASS |
Q( 2)[step 100] | 1.255123999562222e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | -1.953992523340276e-14 | PASS |