Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.155128690000000e+02 -1.155128600000000e+02 5.780000000000000e-05 -9.000000005698894e-06 PASS
Susceptibility YY -1.155128690000000e+02 -1.155128600000000e+02 1.160000000000000e-05 -9.000000005698894e-06 PASS
Susceptibility ZZ -1.155128690000000e+02 -1.155128600000000e+02 1.160000000000000e-05 -9.000000005698894e-06 PASS
Re epsilon XX (LRC) 1.188726000000000e+00 1.188726000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Re epsilon YY (LRC) 1.188726000000000e+00 1.188726000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Re epsilon ZZ (LRC) 1.188726000000000e+00 1.188726000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Im epsilon XX (LRC) 3.663000000000000e-03 3.663000000000000e-03 1.830000000000000e-05 0.000000000000000e+00 PASS
Im epsilon YY (LRC) 3.663000000000000e-03 3.663000000000000e-03 1.830000000000000e-05 0.000000000000000e+00 PASS
Im epsilon ZZ (LRC) 3.663000000000000e-03 3.663000000000000e-03 1.830000000000000e-05 0.000000000000000e+00 PASS
Im epsilon av (LRC) 3.663000000000000e-03 3.663000000000000e-03 1.830000000000000e-05 0.000000000000000e+00 PASS
Re eps XX (LRC, w/o G=0) 1.188161000000000e+00 1.188161000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Re eps YY (LRC, w/o G=0) 1.188161000000000e+00 1.188161000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Re eps ZZ (LRC, w/o G=0) 1.188161000000000e+00 1.188161000000000e+00 5.940000000000000e-06 0.000000000000000e+00 PASS
Im eps XX (LRC, w/o G=0) 3.641000000000000e-03 3.641000000000000e-03 1.820000000000000e-05 4.336808689942018e-19 PASS
Im eps YY (LRC, w/o G=0) 3.641000000000000e-03 3.641000000000000e-03 1.820000000000000e-05 4.336808689942018e-19 PASS
Im eps ZZ (LRC, w/o G=0) 3.641000000000000e-03 3.641000000000000e-03 1.820000000000000e-05 4.336808689942018e-19 PASS
Im eps av (LRC, w/o G=0) 3.641000000000000e-03 3.641000000000000e-03 1.820000000000000e-05 4.336808689942018e-19 PASS
Re epsilon at k-point 1.534782000000000e-01 1.534782100000000e-01 7.670000000000001e-08 -9.999999994736442e-09 PASS
Re epsilon at k-point 2.194731600000000e-01 2.194731500000000e-01 1.100000000000000e-07 9.999999994736442e-09 PASS
Re epsilon at k-point -3.133202200000000e-09 2.557021000000000e-10 6.330000000000000e-09 -3.388904300000000e-09 PASS
Im epsilon at k-point 2.120037900000000e-03 2.120044000000000e-03 3.010000000000000e-08 -6.100000000345412e-09 PASS
Im epsilon at k-point 2.120039700000000e-03 2.120048400000000e-03 3.720000000000000e-08 -8.699999999930985e-09 PASS
Im epsilon at k-point -4.109911700000000e-09 -1.654060000000000e-09 9.230000000000001e-09 -2.455851700000000e-09 PASS
Mag.-opt. Re alpha -2.452163700000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -1.899999999693813e-08 PASS
Mag.-opt. Re alpha -2.452163700000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -1.899999999693813e-08 PASS
Mag.-opt. Re alpha -2.452163700000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -1.899999999693813e-08 PASS
Mag.-opt. Re alpha -2.452163700000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -1.899999999693813e-08 PASS
MO Im alpha (w/o G=0) 1.339292200000000e-02 1.339290700000000e-02 6.660000000000000e-08 1.499999999730883e-08 PASS
MO Im alpha (w/o G=0) 1.339292200000000e-02 1.339290700000000e-02 6.660000000000000e-08 1.499999999730883e-08 PASS
MO Im alpha (w/o G=0) 1.339292200000000e-02 1.339290700000000e-02 6.660000000000000e-08 1.499999999730883e-08 PASS
MO Im alpha (w/o G=0) 1.339292200000000e-02 1.339290700000000e-02 6.660000000000000e-08 1.499999999730883e-08 PASS
Mag.-opt. Im epsilon 1.394144300000000e-04 1.394142800000000e-04 6.930000000000000e-10 1.499999999969408e-10 PASS
Mag.-opt. Im epsilon 1.394144300000000e-04 1.394142800000000e-04 6.930000000000000e-10 1.499999999969408e-10 PASS
Mag.-opt. Im epsilon 1.394144300000000e-04 1.394142800000000e-04 6.930000000000000e-10 1.499999999969408e-10 PASS
Mag.-opt. Im epsilon 1.394144300000000e-04 1.394142800000000e-04 6.930000000000000e-10 1.499999999969408e-10 PASS
MO Re eps (w/o G=0) -2.537517600000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -1.999999999597810e-10 PASS
MO Re eps (w/o G=0) -2.537517600000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -1.999999999597810e-10 PASS
MO Re eps (w/o G=0) -2.537517600000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -1.999999999597810e-10 PASS
MO Re eps (w/o G=0) -2.537517600000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -1.999999999597810e-10 PASS
Mag.-opt. Re eps at kpt -2.488780500000000e-04 -2.488777800000000e-04 4.510000000000000e-10 -2.699999999511253e-10 PASS
Mag.-opt. Im eps at kpt 1.870159600000000e-04 1.870160100000000e-04 6.600000000000000e-10 -5.000000001705029e-11 PASS
Mag.-opt. Im eps at kpt 4.409903500000000e-04 4.409899700000000e-04 1.080000000000000e-09 3.799999999994780e-10 PASS
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