[Pw_forum] crash error...
Paolo Giannozzi
giannozz at nest.sns.it
Tue Jul 11 14:19:58 CEST 2006
On Tuesday 11 July 2006 13:24, mnunez at ncsu.edu wrote:
> from cgramg1_k : error # 1
> negative or zero norm in S
S is the overlap matrix in the Ultrasoft pseudopotential formalism.
It has to be positive definite. Likely one (or more than one) of the
pseudopotentials is bad
Paolo
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