The new lattice vector for the relaxed structure

Zhendong Guo zhendon... at gmail.com
Mon Dec 8 16:43:27 UTC 2014


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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