[Pw_forum] Possible small Bug in ph.x?

[Paolo Giannozzi]

On Friday 17 February 2006 12:12, Miguel Martínez Canales wrote:


>     0.333333333333333E+00   0.277555756156289E-16   0.333333333333333E+00
> ....
>     0.666666666666667E+00  -0.555111512312578E-16   0.666666666666667E+00
>
> Well, I'm not that worried, as these deviations are very small from 0.
> However, I'm suspecting these two q points won't use full symmetry as if
> q(2)=0.

all symmetries  are checked up to a finite small threshold, so
10^{-16} == 0 for all purposes

P.

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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