Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983340000000e+02 -1.130983400000000e+02 8.250000000000001e-06 6.000000013273166e-06 PASS
Susceptibility YY -1.130983340000000e+02 -1.130983400000000e+02 8.250000000000001e-06 6.000000013273166e-06 PASS
Susceptibility ZZ -1.130983340000000e+02 -1.130983400000000e+02 8.250000000000001e-06 6.000000013273166e-06 PASS
Re epsilon XX (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re epsilon YY (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re epsilon ZZ (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Im epsilon XX (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon YY (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon ZZ (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon av (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Re eps XX (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re eps YY (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re eps ZZ (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Im eps XX (LRC, w/o G=0) 1.489900000000000e-02 1.489900000000000e-02 7.450000000000000e-06 -1.734723475976807e-18 PASS
Im eps YY (LRC, w/o G=0) 1.489900000000000e-02 1.489900000000000e-02 7.450000000000000e-06 -1.734723475976807e-18 PASS
Im eps ZZ (LRC, w/o G=0) 1.489900000000000e-02 1.489900000000000e-02 7.450000000000000e-06 -1.734723475976807e-18 PASS
Im eps av (LRC, w/o G=0) 1.489900000000000e-02 1.489900000000000e-02 7.450000000000000e-06 -1.734723475976807e-18 PASS
Re epsilon at k-point 1.682393800000000e-01 1.682394300000000e-01 2.500000000000000e-07 -5.000000000143778e-08 PASS
Re epsilon at k-point 3.214341500000000e-01 3.214342000000000e-01 1.610000000000000e-06 -5.000000002919336e-08 PASS
Re epsilon at k-point 8.007514300000000e-09 0.000000000000000e+00 1.690000000000000e-07 8.007514300000000e-09 PASS
Im epsilon at k-point 2.613236900000000e-03 2.613430500000000e-03 3.780000000000000e-07 -1.936000000000992e-07 PASS
Im epsilon at k-point 2.613248900000000e-03 2.613410000000000e-03 4.330000000000000e-07 -1.610999999998586e-07 PASS
Im epsilon at k-point -2.412077900000000e-08 1.557159700000000e-08 1.100000000000000e-07 -3.969237600000000e-08 PASS
Mag.-opt. Re alpha -1.348499600000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.500000000100645e-07 PASS
Mag.-opt. Re alpha -1.348499600000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.500000000100645e-07 PASS
Mag.-opt. Re alpha -1.348499600000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.500000000100645e-07 PASS
Mag.-opt. Re alpha -1.348499600000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.500000000100645e-07 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
MO Re eps (w/o G=0) -1.393536900000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.600000000143419e-09 PASS
MO Re eps (w/o G=0) -1.393536900000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.600000000143419e-09 PASS
MO Re eps (w/o G=0) -1.393536900000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.600000000143419e-09 PASS
MO Re eps (w/o G=0) -1.393536900000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.600000000143419e-09 PASS
Mag.-opt. Re eps at kpt -1.202046500000000e-03 -1.202049500000000e-03 7.810000000000000e-09 3.000000000155656e-09 PASS
Mag.-opt. Im eps at kpt 2.645924500000000e-03 2.645925600000000e-03 3.580000000000000e-09 -1.099999999507745e-09 PASS
Mag.-opt. Im eps at kpt 4.802626300000000e-03 4.802627400000000e-03 4.700000000000000e-09 -1.100000000808787e-09 PASS
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