Input 06-h2o_pol_lr.04_emresp_mo.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Susceptibility XX |
1.117123115713308e+11 |
-1.569019710000000e+02 |
7.849999999999999e-06 |
1.117123117282328e+11 |
FAIL |
| Susceptibility YY |
0.000000000000000e+00 |
-1.594891250000000e+02 |
7.970000000000000e-06 |
1.594891250000000e+02 |
FAIL |
| Polarizability YY w=0.1 |
0.000000000000000e+00 |
1.077046400000000e+01 |
5.390000000000000e-06 |
-1.077046400000000e+01 |
FAIL |
| Polarizability ZZ w=0.1 |
0.000000000000000e+00 |
1.092309400000000e+01 |
5.460000000000000e-06 |
-1.092309400000000e+01 |
FAIL |
| Mag.-opt. Re alpha w=0.1 |
9.785664600000000e+01 |
-7.288633700000000e-03 |
3.640000000000000e-09 |
9.786393463370000e+01 |
FAIL |
| Mag.-opt. av Im w=0.1 |
-3.529280700000000e+12 |
2.416207200000000e-02 |
1.210000000000000e-08 |
-3.529280700000024e+12 |
FAIL |
| Mag.-opt. Re eps w=0.1 |
-7.023277600000000e+09 |
-7.824322200000001e-06 |
3.910000000000000e-12 |
-7.023277599999992e+09 |
FAIL |
| Mag.-opt. Im eps w=0.1 |
4.137750200000000e+00 |
2.535606200000000e-05 |
1.270000000000000e-11 |
4.137724843938000e+00 |
FAIL |