[CP2K:5248] problem with NEB calculation

[Teodoro Laino]

you need to have two &REPLICA sections..
Something like:



    &REPLICA
      COORD_FILE_NAME  Start.xyz
    &END
    &REPLICA
      COORD_FILE_NAME  End.xyz
    &END

On 06 May 2014, at 11:06, Emile Maras <e1000... at gmail.com> wrote:

> Hello.
> 
> I am trying to run a NEB calculation but it does not work.
> I bet I have a silly mistake in my input file. The problem is that I do not get errors in the output file so I do not really know what to do.
> I enclose my input file. As output I get the standard output (NEB.out), 8 TiO2-M1-BANDxxx.out files which are empty, 8 TiO2-M1-r-0.out files (I enclose one of them). 
> 
> I would appreciate if anybody can spot what is wrong in my input file.
> 
> Thank you
> 
> Emile
> 
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> <Cp2kInputFile.in><NEB.out><TiO2-M1-r-0.out>

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