[CP2K-user] Feature request - xTB from Grimme group
luyjan... at gmail.com
Mon Sep 24 14:09:34 CEST 2018
I hope this is the right place for such a request.
Since CP2K already has some tight-binding capabilities, it would be
interesting to know if an implementation of xTB
(https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/xtb) will be
made in the future.
Since it includes most elements of the periodic table it could be a
worthwhile supplement to ab initio methods.
(I am not in any way affiliated to the Grimme Group)
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