[DFTB-Plus-User] error in xTB

101981000 jahanshahloo.h at gmail.com
Fri Dec 2 05:24:43 CET 2022


Hello
I’m running DFTB+ version 22.1. I get an error in optimizing a TiO2
nanoparticle using xTB:
*Segmentation fault (core dumped)*
size of nanoparticle is 1.2 nm. Could you please help me. I have attached
the input files.
Thanks.

Hamid
Iran
tarbiat modares university
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