[CP2K:5921] The new lattice vector for the relaxed structure

riddick82 ridd... at gmail.com
Mon Dec 8 17:24:05 UTC 2014


Dear zhendong,
You may check the last restart file.

Cheers

M
Il 08/dic/2014 17:43 "Zhendong Guo" <zhendon... at gmail.com> ha scritto:

> Dear Experts
>
> I am using CP2K to relax alpha-Al2O3 including 80 atoms. I checked the
> output files (e,g, *.out and *pos-1.xyz), but I didnot find the new lattice
> vector for the relaxed structure. Could you kindly let me know where I can
> find the new lattice vector?
>
> Zhendong
>
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