Problem about running cp2k tutorial "How to calculate infrared and Raman spectra from MD"

[abdullah azam]

Hi. I have the same problem and same error. advice please 

thanks
ABD


On Thursday, May 22, 2014 at 5:34:59 PM UTC+1, M. Brehm wrote:
>
> Dear Dongshan,
>
> according to the manual of the current CP2k version, try to shift the 
> "PRINT" section into the "LOCALIZATION" block, like this:
>
>   &DFT
>
>     &LOCALIZE
>       METHOD CRAZY
>       MAX_ITER 2000
>
>       &PRINT
>         &WANNIER_CENTERS
>           IONS+CENTERS
>           FILENAME =methanol_wannier.xyz
>         &END
>       &END   
>
>     &END
>
>   &END 
>
>
> Hofefully this works for you. Unfortunately I currently cannot try this 
> out for myself.
>
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