Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -2.319596313589522e+01 | -2.319596313589528e+01 | 1.150000000000000e-12 | 5.684341886080801e-14 | PASS |
Energy [step 25] | -2.306769742316822e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -1.776356839400250e-14 | PASS |
Energy [step 50] | -2.306775467908149e+01 | -2.306775467908149e+01 | 1.150000000000000e-12 | -3.552713678800501e-15 | PASS |
Energy [step 75] | -2.306781599435067e+01 | -2.306781599435064e+01 | 1.150000000000000e-12 | -3.197442310920451e-14 | PASS |
Energy [step 100] | -2.306787047825555e+01 | -2.306787047825554e+01 | 1.150000000000000e-12 | -7.105427357601002e-15 | PASS |
Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Lx [step 25] | 4.379017615444643e-02 | 4.379017615445038e-02 | 1.000000000000000e-14 | -3.941291737419306e-15 | PASS |
Lx [step 50] | 7.224678178810812e-03 | 7.224678178819371e-03 | 1.000000000000000e-14 | -8.559125630469566e-15 | PASS |
Lx [step 75] | -1.948226432550869e-02 | -1.948226432550091e-02 | 1.000000000000000e-14 | -7.778500066280003e-15 | PASS |
Lx [step 100] | -3.047277365036208e-02 | -3.047277365035511e-02 | 1.000000000000000e-14 | -6.966649479522857e-15 | PASS |
Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Ly [step 25] | -7.184675044896949e-02 | -7.184675044896897e-02 | 1.000000000000000e-14 | -5.134781488891349e-16 | PASS |
Ly [step 50] | -7.123184761552104e-03 | -7.123184761548256e-03 | 1.000000000000000e-14 | -3.847616669716558e-15 | PASS |
Ly [step 75] | -4.172386570339220e-02 | -4.172386570339066e-02 | 1.000000000000000e-14 | -1.540434446667405e-15 | PASS |
Ly [step 100] | -5.777037007126885e-02 | -5.777037007126750e-02 | 1.000000000000000e-14 | -1.353084311261910e-15 | PASS |
Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Lz [step 25] | -9.755996688406235e-02 | -9.755996688405971e-02 | 1.000000000000000e-14 | -2.636779683484747e-15 | PASS |
Lz [step 50] | 7.711998558586983e-03 | 7.711998558587046e-03 | 1.000000000000000e-14 | -6.245004513516506e-17 | PASS |
Lz [step 75] | 7.208133272378735e-02 | 7.208133272378753e-02 | 1.000000000000000e-14 | -1.804112415015879e-16 | PASS |
Lz [step 100] | 5.119788868443404e-02 | 5.119788868443480e-02 | 1.000000000000000e-14 | -7.632783294297951e-16 | PASS |
Q(-2)[step 1] | -4.545137226010310e+00 | -4.545137226010302e+00 | 5.000000000000000e-14 | -7.993605777301127e-15 | PASS |
Q(-2)[step 25] | -4.611689082743371e+00 | -4.611689082743363e+00 | 5.000000000000000e-14 | -7.993605777301127e-15 | PASS |
Q(-2)[step 50] | -4.687399395140343e+00 | -4.687399395140323e+00 | 5.000000000000000e-14 | -1.953992523340276e-14 | PASS |
Q(-2)[step 75] | -4.392452874733473e+00 | -4.392452874733464e+00 | 5.000000000000000e-14 | -8.881784197001252e-15 | PASS |
Q(-2)[step 100] | -4.181650789981208e+00 | -4.181650789981192e+00 | 5.000000000000000e-14 | -1.598721155460225e-14 | PASS |
Q(-1)[step 1] | 4.178376526406835e+00 | 4.178376526406848e+00 | 5.000000000000000e-14 | -1.332267629550188e-14 | PASS |
Q(-1)[step 25] | 4.182321921047405e+00 | 4.182321921047410e+00 | 5.000000000000000e-14 | -4.440892098500626e-15 | PASS |
Q(-1)[step 50] | 4.130858295004421e+00 | 4.130858295004428e+00 | 5.000000000000000e-14 | -7.105427357601002e-15 | PASS |
Q(-1)[step 75] | 4.065033999154394e+00 | 4.065033999154396e+00 | 5.000000000000000e-14 | -2.664535259100376e-15 | PASS |
Q(-1)[step 100] | 4.091905436315852e+00 | 4.091905436315860e+00 | 5.000000000000000e-14 | -8.881784197001252e-15 | PASS |
Q( 0)[step 1] | -7.137538508704727e+00 | -7.137538508704713e+00 | 5.000000000000000e-13 | -1.421085471520200e-14 | PASS |
Q( 0)[step 25] | -7.469859499745992e+00 | -7.469859499745980e+00 | 5.000000000000000e-13 | -1.154631945610163e-14 | PASS |
Q( 0)[step 50] | -7.808672080156428e+00 | -7.808672080156406e+00 | 5.000000000000000e-13 | -2.220446049250313e-14 | PASS |
Q( 0)[step 75] | -7.739383133589469e+00 | -7.739383133589480e+00 | 5.000000000000000e-13 | 1.065814103640150e-14 | PASS |
Q( 0)[step 100] | -7.647990218749463e+00 | -7.647990218749506e+00 | 5.000000000000000e-13 | 4.263256414560601e-14 | PASS |
Q( 1)[step 1] | -4.826117423972625e+00 | -4.826117423972624e+00 | 5.000000000000000e-14 | -8.881784197001252e-16 | PASS |
Q( 1)[step 25] | -4.732913099704414e+00 | -4.732913099704414e+00 | 5.000000000000000e-14 | -8.881784197001252e-16 | PASS |
Q( 1)[step 50] | -4.489483009608312e+00 | -4.489483009608300e+00 | 5.000000000000000e-14 | -1.243449787580175e-14 | PASS |
Q( 1)[step 75] | -4.327506323667975e+00 | -4.327506323667949e+00 | 5.000000000000000e-14 | -2.575717417130363e-14 | PASS |
Q( 1)[step 100] | -4.287562363821931e+00 | -4.287562363821902e+00 | 5.000000000000000e-14 | -2.930988785010413e-14 | PASS |
Q( 2)[step 1] | 1.189093313557995e+01 | 1.189093313558002e+01 | 2.000000000000000e-13 | -6.750155989720952e-14 | PASS |
Q( 2)[step 25] | 1.233960558678195e+01 | 1.233960558678198e+01 | 2.000000000000000e-13 | -3.375077994860476e-14 | PASS |
Q( 2)[step 50] | 1.278020775793096e+01 | 1.278020775793098e+01 | 2.000000000000000e-13 | -1.776356839400250e-14 | PASS |
Q( 2)[step 75] | 1.272940168424049e+01 | 1.272940168424052e+01 | 2.000000000000000e-13 | -2.664535259100376e-14 | PASS |
Q( 2)[step 100] | 1.255123999562219e+01 | 1.255123999562224e+01 | 2.000000000000000e-13 | -5.329070518200751e-14 | PASS |