[CP2K:8215] CP2K/ASE vibration analysis question

[Iain Bethune]

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
Twitter: @IainBethune @PrimeGrid @CP2Kproject
Web: http://www2.epcc.ed.ac.uk/~ibethune
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD

> 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
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.