[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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