Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -8.547958800000001e+01 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.761874899999998e+01 | FAIL |
| Susceptibility YY | -8.547958800000001e+01 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.761874899999998e+01 | FAIL |
| Susceptibility ZZ | -8.547958800000001e+01 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.761874899999998e+01 | FAIL |
| Re epsilon XX (LRC) | 1.246500000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.910000000000192e-04 | FAIL |
| Re epsilon YY (LRC) | 1.246500000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.910000000000192e-04 | FAIL |
| Re epsilon ZZ (LRC) | 1.246500000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.910000000000192e-04 | FAIL |
| Im epsilon XX (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon YY (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon ZZ (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon av (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Re eps XX (LRC, w/o G=0) | 1.245540000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.869999999999042e-04 | FAIL |
| Re eps YY (LRC, w/o G=0) | 1.245540000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.869999999999042e-04 | FAIL |
| Re eps ZZ (LRC, w/o G=0) | 1.245540000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.869999999999042e-04 | FAIL |
| Im eps XX (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps YY (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps ZZ (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps av (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Re epsilon at k-point | 1.682388200000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | -6.099999999842343e-07 | FAIL |
| Re epsilon at k-point | 3.211730200000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | -2.611800000000275e-04 | FAIL |
| Re epsilon at k-point | -6.843567199999999e-04 | 0.000000000000000e+00 | 1.690000000000000e-07 | -6.843567199999999e-04 | FAIL |
| Im epsilon at k-point | 2.613760400000000e-03 | 2.613339000000000e-03 | 4.740000000000000e-07 | 4.213999999997178e-07 | PASS |
| Im epsilon at k-point | 2.613854000000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 4.440000000000520e-07 | FAIL |
| Im epsilon at k-point | 3.378427800000000e-05 | 1.557159700000000e-08 | 1.100000000000000e-07 | 3.376870640300000e-05 | FAIL |
| Mag.-opt. Re alpha | -1.450148700000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -1.016413999999999e-02 | FAIL |
| Mag.-opt. Re alpha | -1.450148700000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -1.016413999999999e-02 | FAIL |
| Mag.-opt. Re alpha | -1.450148700000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -1.016413999999999e-02 | FAIL |
| Mag.-opt. Re alpha | -1.450148700000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -1.016413999999999e-02 | FAIL |
| MO Im alpha (w/o G=0) | 2.650959000000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.340999999999928e-04 | FAIL |
| MO Im alpha (w/o G=0) | 2.650959000000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.340999999999928e-04 | FAIL |
| MO Im alpha (w/o G=0) | 2.650959000000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.340999999999928e-04 | FAIL |
| MO Im alpha (w/o G=0) | 2.650959000000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.340999999999928e-04 | FAIL |
| Mag.-opt. Im epsilon | 2.762001400000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -4.563700000000202e-06 | FAIL |
| Mag.-opt. Im epsilon | 2.762001400000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -4.563700000000202e-06 | FAIL |
| Mag.-opt. Im epsilon | 2.762001400000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -4.563700000000202e-06 | FAIL |
| Mag.-opt. Im epsilon | 2.762001400000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -4.563700000000202e-06 | FAIL |
| MO Re eps (w/o G=0) | -1.498652200000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -1.051073000000000e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.498652200000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -1.051073000000000e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.498652200000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -1.051073000000000e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.498652200000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -1.051073000000000e-04 | FAIL |
| Mag.-opt. Re eps at kpt | -1.322556200000000e-03 | -1.202057300000000e-03 | 1.000000000000000e-08 | -1.204989000000000e-04 | FAIL |
| Mag.-opt. Im eps at kpt | 2.651678900000000e-03 | 2.645925950000000e-03 | 1.000000000000000e-08 | 5.752950000000034e-06 | FAIL |
| Mag.-opt. Im eps at kpt | 5.069556300000000e-03 | 4.802625300000000e-03 | 1.000000000000000e-08 | 2.669309999999998e-04 | FAIL |