training.zip
training
H2
H2.out
406.3 MB
h2_otf.py
4.1 kB
initial_frame.xyz
3.1 kB
make_initial_frame.py
1.2 kB
Pt-bulk
Pt.out
31.4 MB
pt_otf.py
4.7 kB
Pt-surface
Pt.out
16.4 MB
pt_otf.py
5.3 kB
PtH
PtH.out
399.6 MB
init.xyz
4.1 kB
make_initial_structure.py
2.1 kB
pt_otf.py
4.7 kB