[CP2K:628] Warning in QMMM

Fawzi Mohamed fa... at gmx.ch
Wed Jan 23 17:48:50 UTC 2008

>  *** 16:10:59 WARNING in pw_spline_utils:pw_prolongate_s3 err=-300
> ***
>  *** condition FAILED at line 4019
> ***
> I'm not sure what this means - can I safely ignore it?

it means that it wasn't able to converge the spline interpolation to  
the requested accuracy, depending on how high it is an how many  
iteration you asked it might be bad.

eps_r (residual error)
eps_x (argument error)


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