[Smeagol-discuss] Ni lead calculation diagonalization problems.

[Kamaram Munira]

I ran a lead calculation with the Au_lead.fdf file from the Example folder, 
just replacing the Au information with Ni. This is the error I get:

* Maximum dynamic memory allocated = 40 MB
  The leading minor of order 30 of B is not positive definite.
  The factorization of B could not be completed
   and no eigenvalues or eigenvectors were computed.
Terminating due to failed diagonalisation
Stopping Program


What did I do wrong?

Thanks.
-Kamaram

-----------------------
Kamaram Munira
Graduate Research Assistant
Charles Brown Department
of Electrical Engineering
University of Virginia
Charlottesville, VA-22903.