[Pw_forum] cdiaghg : error # 195

[Paolo Giannozzi]

On Monday 24 July 2006 16:52, Luke Thulin wrote:

> I think my trouble is from the atomic positions, since I am trying to
> model a strained crystal.  The manual says that could cause the error.

the manual doesn't say anything like this

> I just thought it was odd that the scf calculation had no trouble.  I
> made the convergence threshold (ethr) more stringent for the nscf
> and there was no error this time.  Does that make any sense?

no, it doesn't
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