[CP2K:8215] CP2K/ASE vibration analysis question

Iain Bethune ibet... at epcc.ed.ac.uk
Wed Oct 26 14:06:14 UTC 2016

Dear Chanwoo, all,

Support for molden output from vibrational analysis with fixed atoms has just been added in r17502 - please try it out and let me know if you run into problems.  Thanks to Tobi Kraemer for pointing this out in the first place and for some testing!

- Iain


Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> On 6 Oct 2016, at 01:21, Chanwoo Noh <eric... at gmail.com> wrote:
> Dear Ole,
> I really thank you for your suggestion.
> As you mentioned, I will try to figure out the reason that cp2k does not print the molden output.
> If I find it, I will post the result on this board.
> Chanwoo
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