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Running the TiO2 example †

Having compiled AENET executables (*.x), let us run them by using the example provided at the AENET web page (see the download section).

In the AENET directory (~/AENET), create the example directory as

$ cd ~/AENET
$ mkdir examples

and change the directory

$ cd examples

Download the example file

$ wget http://ann.atomistic.net/files/aenet-example-01-TiO2.tar.bz2

and expand

$ tar jxvf aenet-example-01-TiO2.tar.bz2

to get

aenet-example-01-TiO2/

In this directory, we can find the following directories:

01-generate/  02-train/  03-predict/  04-MD-ASE/  LICENSE  README  xsf/