Input 02-h2o_pol_lr.05_h2o_magn_opt.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Polarizability YY w=0.0 |
0.000000000000000e+00 |
1.207835000000000e+01 |
6.040000000000000e-05 |
-1.207835000000000e+01 |
FAIL |
| Polarizability ZZ w=0.0 |
-3.000000000000000e-06 |
2.205097900000000e+01 |
1.100000000000000e-05 |
-2.205098200000000e+01 |
FAIL |
| Polarizability XX w=0.1 |
1.568035900000000e+01 |
1.568035700000000e+01 |
7.839999999999999e-06 |
1.999999998503199e-06 |
PASS |
| Polarizability YY w=0.1 |
1.254943600000000e+01 |
1.254941100000000e+01 |
6.270000000000000e-08 |
2.500000000082991e-05 |
FAIL |
| Polarizability ZZ w=0.1 |
2.771659800000000e+01 |
2.751902300000000e+01 |
1.380000000000000e-05 |
1.975750000000005e-01 |
FAIL |
| Mag.-opt. Re alpha w=0.0 |
-3.214848700000000e-02 |
-3.534978700000000e-03 |
1.770000000000000e-09 |
-2.861350830000000e-02 |
FAIL |
| Mag.-opt. av Re w=0.0 |
-7.978080400000000e-03 |
-4.536868400000000e-03 |
2.270000000000000e-09 |
-3.441212000000001e-03 |
FAIL |
| Mag.-opt. Re alpha w=0.1 |
-5.432800000000000e-03 |
-2.850572400000000e-03 |
1.430000000000000e-09 |
-2.582227600000000e-03 |
FAIL |
| Mag.-opt. av Im w=0.1 |
5.042562400000000e-02 |
5.160553600000000e-02 |
2.580000000000000e-10 |
-1.179911999999998e-03 |
FAIL |