Normal mode analysis and output of Hessian

Manish Shetty manishsh... at
Fri Jan 22 16:47:13 UTC 2016

Hi all,

I have been trying to conduct a normal mode analysis on the TS structure 
obtained from CI-NEB to confirm it is a first-order saddle point. My 
simulation cell is large with about 450 atoms, and hence a complete 
analysis may take a long time.

To get around this, I have undertaken
1. Selective mode analysis with only top layer involved.
2. CP2K forces me to give a range or track a frequency.

However, I have been facing a few problems:
1. I need to give a range which will then not output any imaginary 
2. The number of frequencies is less than 3N-6.
3. I could do a diagnolization of the Hessian but I do not get an output of 
the Hessian.

Any help with the input to help me get all the frequencies and any other 
tips from experiences users will be helpful and appreciated.

I am attaching my input file with the email.

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