Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589528e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 25] | -2.306769742316832e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -1.207922650792170e-13 | PASS |
| Energy [step 50] | -2.306775467908155e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | -6.394884621840902e-14 | PASS |
| Energy [step 75] | -2.306781599435073e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | -8.881784197001252e-14 | PASS |
| Energy [step 100] | -2.306787047825564e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | -9.592326932761353e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379017615444868e-02 | 4.379017615445080e-02 | 3.120000000000000e-15 | -2.116362640691705e-15 | PASS |
| Lx [step 50] | 7.224678178817626e-03 | 7.224678178820666e-03 | 5.270000000000000e-15 | -3.040102891649354e-15 | PASS |
| Lx [step 75] | -1.948226432550160e-02 | -1.948226432550024e-02 | 4.810000000000000e-15 | -1.356553758213863e-15 | PASS |
| Lx [step 100] | -3.047277365035034e-02 | -3.047277365035465e-02 | 5.470000000000000e-15 | 4.315992008230296e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184675044897250e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | -3.524958103184872e-15 | PASS |
| Ly [step 50] | -7.123184761554574e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | -6.317862899507531e-15 | PASS |
| Ly [step 75] | -4.172386570338857e-02 | -4.172386570338878e-02 | 2.890000000000000e-15 | 2.151057110211241e-16 | PASS |
| Ly [step 100] | -5.777037007126758e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | -8.326672684688674e-17 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.755996688405960e-02 | -9.755996688406000e-02 | 4.140000000000000e-15 | 4.024558464266192e-16 | PASS |
| Lz [step 50] | 7.711998558583538e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | -3.507610868425104e-15 | PASS |
| Lz [step 75] | 7.208133272378671e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | -8.187894806610529e-16 | PASS |
| Lz [step 100] | 5.119788868443406e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | -7.424616477180734e-16 | PASS |
| Q(-2)[step 1] | -4.545137226010315e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | -1.332267629550188e-14 | PASS |
| Q(-2)[step 25] | -4.611689082743377e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | -1.332267629550188e-14 | PASS |
| Q(-2)[step 50] | -4.687399395140343e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | -1.953992523340276e-14 | PASS |
| Q(-2)[step 75] | -4.392452874733469e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q(-2)[step 100] | -4.181650789981209e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q(-1)[step 1] | 4.178376526406838e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q(-1)[step 25] | 4.182321921047406e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | -3.552713678800501e-15 | PASS |
| Q(-1)[step 50] | 4.130858295004426e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q(-1)[step 75] | 4.065033999154408e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | 1.154631945610163e-14 | PASS |
| Q(-1)[step 100] | 4.091905436315865e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | 4.440892098500626e-15 | PASS |
| Q( 0)[step 1] | -7.137538508704723e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q( 0)[step 25] | -7.469859499745989e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | -8.881784197001252e-15 | PASS |
| Q( 0)[step 50] | -7.808672080156413e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | -7.105427357601002e-15 | PASS |
| Q( 0)[step 75] | -7.739383133589471e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | 8.881784197001252e-15 | PASS |
| Q( 0)[step 100] | -7.647990218749473e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 3.286260152890463e-14 | PASS |
| Q( 1)[step 1] | -4.826117423972621e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | 2.664535259100376e-15 | PASS |
| Q( 1)[step 25] | -4.732913099704419e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q( 1)[step 50] | -4.489483009608307e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | -7.105427357601002e-15 | PASS |
| Q( 1)[step 75] | -4.327506323667959e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | -9.769962616701378e-15 | PASS |
| Q( 1)[step 100] | -4.287562363821920e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | -1.865174681370263e-14 | PASS |
| Q( 2)[step 1] | 1.189093313557996e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -6.394884621840902e-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 | -1.776356839400250e-15 | PASS |
| Q( 2)[step 75] | 1.272940168424051e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | -1.243449787580175e-14 | PASS |
| Q( 2)[step 100] | 1.255123999562222e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | -1.776356839400250e-14 | PASS |