[CP2K-user] [CP2K:17349] Wannier center, xyz file contains same frame twice.

[Md Masrul Huda]

Hey, 
I am trying to calculate IR spectra using Wannier center, I saw that 
cll_wannier.xyz contains the same frame twice. I am not sure if it is okay 
or if I am doing something wrong.  

     &LOCALIZE
       MAX_ITER 10000
       &PRINT
         &WANNIER_CENTERS
            IONS+CENTERS
            FILENAME =cll_wannier.xyz
            &EACH
              MD 5
            &END
         &END
       &END
     &END


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