Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_ppc_autotools: [foss2022a-serial]
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] | -2.306769742316822e+01 | -2.306769742316820e+01 | 1.150000000000000e-12 | -2.131628207280301e-14 | PASS |
Energy [step 50] | -2.306775467908144e+01 | -2.306775467908149e+01 | 2.310000000000000e-13 | 4.618527782440651e-14 | PASS |
Energy [step 75] | -2.306781599435068e+01 | -2.306781599435064e+01 | 2.310000000000000e-13 | -3.552713678800501e-14 | PASS |
Energy [step 100] | -2.306787047825553e+01 | -2.306787047825554e+01 | 2.310000000000000e-13 | 1.065814103640150e-14 | PASS |
Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lx [step 25] | 4.379017615445130e-02 | 4.379017615445038e-02 | 3.610000000000000e-15 | 9.228728892196614e-16 | PASS |
Lx [step 50] | 7.224678178821256e-03 | 7.224678178819371e-03 | 6.700000000000000e-15 | 1.885644418386789e-15 | PASS |
Lx [step 75] | -1.948226432550098e-02 | -1.948226432550091e-02 | 5.550000000000000e-15 | -7.285838599102590e-17 | PASS |
Lx [step 100] | -3.047277365035511e-02 | -3.047277365035511e-02 | 7.000000000000000e+00 | 0.000000000000000e+00 | PASS |
Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Ly [step 25] | -7.184675044896784e-02 | -7.184675044896897e-02 | 3.880000000000000e-15 | 1.137978600240785e-15 | PASS |
Ly [step 50] | -7.123184761543430e-03 | -7.123184761548256e-03 | 6.950000000000000e-15 | 4.826000710167477e-15 | PASS |
Ly [step 75] | -4.172386570338824e-02 | -4.172386570339066e-02 | 4.960000000000000e-15 | 2.428612866367530e-15 | PASS |
Ly [step 100] | -5.777037007126856e-02 | -5.777037007126750e-02 | 4.070000000000000e-15 | -1.061650767297806e-15 | PASS |
Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lz [step 25] | -9.755996688406082e-02 | -9.755996688405971e-02 | 6.400000000000000e-15 | -1.110223024625157e-15 | PASS |
Lz [step 50] | 7.711998558588007e-03 | 7.711998558587046e-03 | 4.580000000000000e-15 | 9.610368056911511e-16 | PASS |
Lz [step 75] | 7.208133272379008e-02 | 7.208133272378753e-02 | 5.780000000000000e-15 | 2.553512956637860e-15 | PASS |
Lz [step 100] | 5.119788868443997e-02 | 5.119788868443480e-02 | 5.660000000000000e-15 | 5.169475958410885e-15 | PASS |
Q(-2)[step 1] | -4.545137226010283e+00 | -4.545137226010302e+00 | 4.550000000000000e-14 | 1.865174681370263e-14 | PASS |
Q(-2)[step 25] | -4.611689082743339e+00 | -4.611689082743363e+00 | 4.610000000000000e-14 | 2.486899575160351e-14 | PASS |
Q(-2)[step 50] | -4.687399395140301e+00 | -4.687399395140323e+00 | 4.690000000000000e-14 | 2.220446049250313e-14 | PASS |
Q(-2)[step 75] | -4.392452874733431e+00 | -4.392452874733464e+00 | 4.390000000000000e-14 | 3.286260152890463e-14 | PASS |
Q(-2)[step 100] | -4.181650789981172e+00 | -4.181650789981192e+00 | 4.180000000000000e-14 | 1.953992523340276e-14 | PASS |
Q(-1)[step 1] | 4.178376526406876e+00 | 4.178376526406848e+00 | 4.180000000000000e-14 | 2.842170943040401e-14 | PASS |
Q(-1)[step 25] | 4.182321921047436e+00 | 4.182321921047410e+00 | 4.180000000000000e-14 | 2.664535259100376e-14 | PASS |
Q(-1)[step 50] | 4.130858295004447e+00 | 4.130858295004428e+00 | 4.130000000000000e-14 | 1.865174681370263e-14 | PASS |
Q(-1)[step 75] | 4.065033999154416e+00 | 4.065033999154396e+00 | 4.070000000000000e-14 | 1.953992523340276e-14 | PASS |
Q(-1)[step 100] | 4.091905436315876e+00 | 4.091905436315860e+00 | 4.090000000000000e-14 | 1.598721155460225e-14 | PASS |
Q( 0)[step 1] | -7.137538508704679e+00 | -7.137538508704713e+00 | 7.140000000000000e-14 | 3.463895836830488e-14 | PASS |
Q( 0)[step 25] | -7.469859499745932e+00 | -7.469859499745980e+00 | 3.730000000000000e-13 | 4.796163466380676e-14 | PASS |
Q( 0)[step 50] | -7.808672080156368e+00 | -7.808672080156406e+00 | 7.810000000000000e-14 | 3.730349362740526e-14 | PASS |
Q( 0)[step 75] | -7.739383133589482e+00 | -7.739383133589480e+00 | 3.870000000000000e-13 | -1.776356839400250e-15 | PASS |
Q( 0)[step 100] | -7.647990218749445e+00 | -7.647990218749506e+00 | 7.650000000000000e-14 | 6.039613253960852e-14 | PASS |
Q( 1)[step 1] | -4.826117423972610e+00 | -4.826117423972624e+00 | 4.830000000000000e-14 | 1.421085471520200e-14 | PASS |
Q( 1)[step 25] | -4.732913099704398e+00 | -4.732913099704414e+00 | 4.730000000000000e-14 | 1.598721155460225e-14 | PASS |
Q( 1)[step 50] | -4.489483009608289e+00 | -4.489483009608300e+00 | 4.490000000000000e-14 | 1.065814103640150e-14 | PASS |
Q( 1)[step 75] | -4.327506323667924e+00 | -4.327506323667949e+00 | 4.330000000000000e-14 | 2.486899575160351e-14 | PASS |
Q( 1)[step 100] | -4.287562363821866e+00 | -4.287562363821902e+00 | 4.290000000000000e-14 | 3.552713678800501e-14 | PASS |
Q( 2)[step 1] | 1.189093313557998e+01 | 1.189093313558002e+01 | 1.190000000000000e-13 | -3.907985046680551e-14 | PASS |
Q( 2)[step 25] | 1.233960558678199e+01 | 1.233960558678198e+01 | 1.230000000000000e-13 | 5.329070518200751e-15 | PASS |
Q( 2)[step 50] | 1.278020775793102e+01 | 1.278020775793098e+01 | 1.280000000000000e-13 | 3.907985046680551e-14 | PASS |
Q( 2)[step 75] | 1.272940168424056e+01 | 1.272940168424052e+01 | 1.270000000000000e-13 | 3.730349362740526e-14 | PASS |
Q( 2)[step 100] | 1.255123999562227e+01 | 1.255123999562224e+01 | 1.260000000000000e-13 | 3.019806626980426e-14 | PASS |