Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589530e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 25] | -2.306769742316812e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | 8.526512829121202e-14 | PASS |
| Energy [step 50] | -2.306775467908152e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 75] | -2.306781599435070e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | -6.039613253960852e-14 | PASS |
| Energy [step 100] | -2.306787047825546e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | 7.460698725481052e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379017615444902e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | -1.353084311261910e-15 | PASS |
| Lx [step 50] | 7.224678178822668e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | 3.297709327831910e-15 | PASS |
| Lx [step 75] | -1.948226432549730e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | 3.611694276983712e-15 | PASS |
| Lx [step 100] | -3.047277365035189e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | 3.219646771412954e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184675044896983e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | -8.604228440844963e-16 | PASS |
| Ly [step 50] | -7.123184761546032e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | 2.223915496202267e-15 | PASS |
| Ly [step 75] | -4.172386570338817e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | 2.491062911502695e-15 | PASS |
| Ly [step 100] | -5.777037007126827e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | -7.702172233337023e-16 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.755996688406376e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | -4.052314039881821e-15 | PASS |
| Lz [step 50] | 7.711998558582886e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -4.159866895392383e-15 | PASS |
| Lz [step 75] | 7.208133272378353e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -3.996802888650564e-15 | PASS |
| Lz [step 100] | 5.119788868443124e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | -3.559652572704408e-15 | PASS |
| Q(-2)[step 1] | -4.545137226010320e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q(-2)[step 25] | -4.611689082743369e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q(-2)[step 50] | -4.687399395140336e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q(-2)[step 75] | -4.392452874733467e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -2.664535259100376e-15 | PASS |
| Q(-2)[step 100] | -4.181650789981200e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -7.993605777301127e-15 | PASS |
| Q(-1)[step 1] | 4.178376526406822e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -2.575717417130363e-14 | PASS |
| Q(-1)[step 25] | 4.182321921047389e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -2.131628207280301e-14 | PASS |
| Q(-1)[step 50] | 4.130858295004418e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q(-1)[step 75] | 4.065033999154395e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | -8.881784197001252e-16 | PASS |
| Q(-1)[step 100] | 4.091905436315856e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q( 0)[step 1] | -7.137538508704730e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q( 0)[step 25] | -7.469859499745995e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -1.509903313490213e-14 | PASS |
| Q( 0)[step 50] | -7.808672080156438e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | -3.197442310920451e-14 | PASS |
| Q( 0)[step 75] | -7.739383133589480e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 0.000000000000000e+00 | PASS |
| Q( 0)[step 100] | -7.647990218749482e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 2.398081733190338e-14 | PASS |
| Q( 1)[step 1] | -4.826117423972629e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q( 1)[step 25] | -4.732913099704427e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -1.332267629550188e-14 | PASS |
| Q( 1)[step 50] | -4.489483009608312e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q( 1)[step 75] | -4.327506323667961e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q( 1)[step 100] | -4.287562363821919e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q( 2)[step 1] | 1.189093313557997e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -5.329070518200751e-14 | PASS |
| Q( 2)[step 25] | 1.233960558678199e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | 7.105427357601002e-15 | PASS |
| Q( 2)[step 50] | 1.278020775793098e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | 3.552713678800501e-15 | PASS |
| Q( 2)[step 75] | 1.272940168424054e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | 1.598721155460225e-14 | PASS |
| Q( 2)[step 100] | 1.255123999562224e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | 0.000000000000000e+00 | PASS |