Figures_main.zip
Figures_main
1_MD
README.txt
1.4 kB
compressed_traj.npz
188.3 MB
equilibrium_traj.npz
170.2 MB
2_phonons
2+6
2+6.frc
4.1 MB
2+6.freq
387.2 kB
2+6.freq.gp
372.7 kB
DYNMAT
aida-matdyn0
310 Bytes
aida-matdyn1
725.0 kB
aida-matdyn2
1.5 MB
aida-matdyn3
1.5 MB
aida-matdyn4
715.2 kB
scf.out
674.5 kB
2+6_warrow.vesta
13.2 kB
4+4
4+4.frc
4.1 MB
4+4.freq
387.2 kB
4+4.freq.gp
372.7 kB
DYNMAT
aida-matdyn0
310 Bytes
aida-matdyn1
725.0 kB
aida-matdyn2
1.5 MB
aida-matdyn3
1.5 MB
aida-matdyn4
715.2 kB
scf.out
343.6 kB
4+4_warrow.vesta
13.2 kB
40_atom_bulk.vesta
12.4 kB
5_atom_bulk.vesta
4.7 kB
README.txt
1.0 kB
undistorted
40atom.freq
387.2 kB
40atom.freq.gp
372.7 kB
5atom.frc
480.6 kB
5atom.freq
59.6 kB
5atom.freq.gp
50.3 kB
DYNMAT
aida-matdyn0
748 Bytes
aida-matdyn1
15.8 kB
aida-matdyn10
13.1 kB
aida-matdyn2
43.9 kB
aida-matdyn3
25.4 kB
aida-matdyn4
80.8 kB
aida-matdyn5
80.8 kB
aida-matdyn6
25.4 kB
aida-matdyn7
56.2 kB
aida-matdyn8
80.8 kB
aida-matdyn9
43.9 kB
scf.out
123.7 kB
3_BTO_vol
BaTiO3-2_6_displ.dat
7.0 kB
BaTiO3-4_4_displ.dat
896 Bytes
BaTiO3_unstable_modes.dat
1.2 kB
README.txt
732 Bytes
4_titanates_vol
BaTiO3-4_4_displ.dat
872 Bytes
CaTiO3-4_4_displ.dat
571 Bytes
PbTiO3-4_4_displ.dat
1.1 kB
README.txt
397 Bytes
SrTiO3-4_4_displ.dat
1.1 kB