Name |
Value |
Reference |
Precision |
Difference |
Status |
gga_x_mpw91 Eigenvalue up |
-9.706930000000000e-01 |
-9.707330000000001e-01 |
4.400000000000000e-05 |
4.000000000004000e-05 |
PASS |
gga_x_mpw91 Eigenvalue dn |
-8.188870000000000e-01 |
-8.189245000000001e-01 |
4.120000000000000e-05 |
3.750000000002363e-05 |
PASS |
gga_x_mpw91 Exchange |
-3.203657900000000e-01 |
-3.203694350000000e-01 |
3.990000000000000e-06 |
3.644999999996568e-06 |
PASS |
gga_x_mpw91 Int[n*v_xc] |
-4.065019100000000e-01 |
-4.065063800000000e-01 |
4.890000000000000e-06 |
4.469999999978658e-06 |
PASS |