[Smeagol-discuss] (no subject)

[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.