You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I was running a rwfnestimate calculation for Barium, using a CSF of:
[Xe] 6s(2,)
[Xe] 6s(1,)5d(1,)
[Xe] 5d(2,)
Double excitations and with the active orbitals:
10s,9p,9d,7f,7g,7h,7i
I received the error:
SETPOT: Grid of insufficient extent.
Wondering if this is a limitation of the program/calculations, or if it's a physical hardware limitation of my computer?
I can increase the principle quantum number above 10, so I don't think that's the issue, but I can't seem to increase the orbital angular momentum number past 5 (h).
The text was updated successfully, but these errors were encountered:
I was running a rwfnestimate calculation for Barium, using a CSF of:
[Xe] 6s(2,)
[Xe] 6s(1,)5d(1,)
[Xe] 5d(2,)
Double excitations and with the active orbitals:
10s,9p,9d,7f,7g,7h,7i
I received the error:
SETPOT: Grid of insufficient extent.
Wondering if this is a limitation of the program/calculations, or if it's a physical hardware limitation of my computer?
I can increase the principle quantum number above 10, so I don't think that's the issue, but I can't seem to increase the orbital angular momentum number past 5 (h).
The text was updated successfully, but these errors were encountered: