Hi,
This has no influence, it is a message about the Pulay mixing algorithm
which tries to solve the problem using SVD since the inversion failed.
When an inversion fails in a Pulay mixing scheme it means that two
iterations are extremely close and thus the matrix becomes non-invertible.
When
Hello all,
I get this error when approaching convergence, what could be the issue? I
see some similar questions pointing in this direction.
*mix: Pulay -- inversion failed, > SVD [rank/size] 3 / 5*
James
El destino baraja las cartas, pero nosotros las jugamos.
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