Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run foss-2022a_opt

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.155128530000000e+02 -1.155128600000000e+02 5.780000000000000e-05 6.999999982326699e-06 PASS
Susceptibility YY -1.155128530000000e+02 -1.155128600000000e+02 1.160000000000000e-05 6.999999982326699e-06 PASS
Susceptibility ZZ -1.155128530000000e+02 -1.155128600000000e+02 1.160000000000000e-05 6.999999982326699e-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 1.297009300000000e-10 2.557021000000000e-10 6.330000000000000e-09 -1.260011700000000e-10 PASS
Im epsilon at k-point 2.120031600000000e-03 2.120044000000000e-03 3.010000000000000e-08 -1.240000000032535e-08 PASS
Im epsilon at k-point 2.120026500000000e-03 2.120048400000000e-03 3.720000000000000e-08 -2.190000000009545e-08 PASS
Im epsilon at k-point -1.712092200000000e-09 -1.654060000000000e-09 9.230000000000001e-09 -5.803219999999993e-11 PASS
Mag.-opt. Re alpha -2.452164300000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -2.499999999724944e-08 PASS
Mag.-opt. Re alpha -2.452164300000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -2.499999999724944e-08 PASS
Mag.-opt. Re alpha -2.452164300000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -2.499999999724944e-08 PASS
Mag.-opt. Re alpha -2.452164300000000e-02 -2.452161800000000e-02 4.180000000000000e-08 -2.499999999724944e-08 PASS
MO Im alpha (w/o G=0) 1.339291500000000e-02 1.339290700000000e-02 6.660000000000000e-08 7.999999997523877e-09 PASS
MO Im alpha (w/o G=0) 1.339291500000000e-02 1.339290700000000e-02 6.660000000000000e-08 7.999999997523877e-09 PASS
MO Im alpha (w/o G=0) 1.339291500000000e-02 1.339290700000000e-02 6.660000000000000e-08 7.999999997523877e-09 PASS
MO Im alpha (w/o G=0) 1.339291500000000e-02 1.339290700000000e-02 6.660000000000000e-08 7.999999997523877e-09 PASS
Mag.-opt. Im epsilon 1.394143600000000e-04 1.394142800000000e-04 6.930000000000000e-10 8.000000000559643e-11 PASS
Mag.-opt. Im epsilon 1.394143600000000e-04 1.394142800000000e-04 6.930000000000000e-10 8.000000000559643e-11 PASS
Mag.-opt. Im epsilon 1.394143600000000e-04 1.394142800000000e-04 6.930000000000000e-10 8.000000000559643e-11 PASS
Mag.-opt. Im epsilon 1.394143600000000e-04 1.394142800000000e-04 6.930000000000000e-10 8.000000000559643e-11 PASS
MO Re eps (w/o G=0) -2.537518100000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -2.499999999768313e-10 PASS
MO Re eps (w/o G=0) -2.537518100000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -2.499999999768313e-10 PASS
MO Re eps (w/o G=0) -2.537518100000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -2.499999999768313e-10 PASS
MO Re eps (w/o G=0) -2.537518100000000e-04 -2.537515600000000e-04 4.290000000000000e-10 -2.499999999768313e-10 PASS
Mag.-opt. Re eps at kpt -2.488779700000000e-04 -2.488777800000000e-04 4.510000000000000e-10 -1.899999999997390e-10 PASS
Mag.-opt. Im eps at kpt 1.870160900000000e-04 1.870160100000000e-04 6.600000000000000e-10 7.999999997849137e-11 PASS
Mag.-opt. Im eps at kpt 4.409900900000000e-04 4.409899700000000e-04 1.080000000000000e-09 1.200000000083946e-10 PASS
Compare to other inputs