Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589532e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -4.263256414560601e-14 | PASS |
| Energy [step 25] | -2.306769742316826e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -5.684341886080801e-14 | PASS |
| Energy [step 50] | -2.306775467908156e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | -7.460698725481052e-14 | PASS |
| Energy [step 75] | -2.306781599435057e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | 6.750155989720952e-14 | PASS |
| Energy [step 100] | -2.306787047825560e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | -6.039613253960852e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379017615444815e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | -2.227384943154220e-15 | PASS |
| Lx [step 50] | 7.224678178817376e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | -1.994931997373328e-15 | PASS |
| Lx [step 75] | -1.948226432550142e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | -5.065392549852277e-16 | PASS |
| Lx [step 100] | -3.047277365035372e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | 1.387778780781446e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184675044896642e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | 2.553512956637860e-15 | PASS |
| Ly [step 50] | -7.123184761544929e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | 3.327199626923516e-15 | PASS |
| Ly [step 75] | -4.172386570338616e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | 4.503342143635791e-15 | PASS |
| Ly [step 100] | -5.777037007126952e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | -2.019218126037003e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.755996688406188e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | -2.164934898019055e-15 | PASS |
| Lz [step 50] | 7.711998558583212e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -3.833738881908744e-15 | PASS |
| Lz [step 75] | 7.208133272378486e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -2.664535259100376e-15 | PASS |
| Lz [step 100] | 5.119788868442968e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | -5.120903701083535e-15 | PASS |
| Q(-2)[step 1] | -4.545137226010287e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | 1.421085471520200e-14 | PASS |
| Q(-2)[step 25] | -4.611689082743388e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -2.486899575160351e-14 | PASS |
| Q(-2)[step 50] | -4.687399395140326e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -2.664535259100376e-15 | PASS |
| Q(-2)[step 75] | -4.392452874733499e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -3.552713678800501e-14 | PASS |
| Q(-2)[step 100] | -4.181650789981193e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -8.881784197001252e-16 | PASS |
| Q(-1)[step 1] | 4.178376526406821e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -2.664535259100376e-14 | PASS |
| Q(-1)[step 25] | 4.182321921047385e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -2.486899575160351e-14 | PASS |
| Q(-1)[step 50] | 4.130858295004420e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | -7.993605777301127e-15 | PASS |
| Q(-1)[step 75] | 4.065033999154393e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | -3.552713678800501e-15 | PASS |
| Q(-1)[step 100] | 4.091905436315859e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q( 0)[step 1] | -7.137538508704744e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -3.108624468950438e-14 | PASS |
| Q( 0)[step 25] | -7.469859499746021e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -4.085620730620576e-14 | PASS |
| Q( 0)[step 50] | -7.808672080156402e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | 3.552713678800501e-15 | PASS |
| Q( 0)[step 75] | -7.739383133589474e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 6.217248937900877e-15 | PASS |
| Q( 0)[step 100] | -7.647990218749549e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | -4.352074256530614e-14 | PASS |
| Q( 1)[step 1] | -4.826117423972631e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -7.105427357601002e-15 | PASS |
| Q( 1)[step 25] | -4.732913099704423e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q( 1)[step 50] | -4.489483009608305e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q( 1)[step 75] | -4.327506323667959e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q( 1)[step 100] | -4.287562363821913e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -1.154631945610163e-14 | PASS |
| Q( 2)[step 1] | 1.189093313558008e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | 6.039613253960852e-14 | PASS |
| Q( 2)[step 25] | 1.233960558678196e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | -1.776356839400250e-14 | PASS |
| Q( 2)[step 50] | 1.278020775793098e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | -3.552713678800501e-15 | PASS |
| Q( 2)[step 75] | 1.272940168424051e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | -1.065814103640150e-14 | PASS |
| Q( 2)[step 100] | 1.255123999562227e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | 2.842170943040401e-14 | PASS |