Input 03-xc.gga_x_pbea.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
gga_x_pbea Eigenvalue up |
-9.648260000000000e-01 |
-9.647865000000000e-01 |
4.340000000000000e-05 |
-3.949999999997011e-05 |
PASS |
gga_x_pbea Eigenvalue dn |
-8.113300000000000e-01 |
-8.112925000000000e-01 |
4.130000000000000e-05 |
-3.750000000002363e-05 |
PASS |
gga_x_pbea Exchange |
-3.120151100000000e-01 |
-3.120116200000000e-01 |
3.840000000000000e-06 |
-3.489999999994886e-06 |
PASS |
gga_x_pbea Int[n*v_xc] |
-4.002273100000000e-01 |
-4.002229500000000e-01 |
4.800000000000000e-06 |
-4.360000000036557e-06 |
PASS |