3_aSiO2.zip
3_aSiO2
MD
N3
create_input.sh
6.9 kB
data_1
create_final.py
370 Bytes
in.dyn
2.5 kB
in.quench
3.6 kB
submit.job
179 Bytes
data_2
create_final.py
370 Bytes
in.dyn
2.5 kB
in.quench
3.6 kB
submit.job
179 Bytes
N8
create_input.sh
6.9 kB
data_1
create_final.py
370 Bytes
in.dyn
2.5 kB
in.quench
3.6 kB
submit.job
179 Bytes
data_2
create_final.py
370 Bytes
in.dyn
2.5 kB
in.quench
3.6 kB
submit.job
179 Bytes
SiO.1990.vashishta
1.6 kB
SiO2.test
2.2 kB
SiO2_mp-8352_conventional_standard.cif
1.9 kB
cif_to_lmp.py
348 Bytes
VDSF
N14
1
dynmat.npz
1.3 GB
replicated_atoms.xyz
11.0 MB
spectrum_k200_eta1.npy
35.3 MB
N8
1
dynmat.npz
258.3 MB
replicated_atoms.xyz
2.1 MB
spectrum_k200_eta1.npy
35.3 MB
mp_DSF.py
3.9 kB
plot_VDSF.ipynb
281.4 kB
submit.job
134 Bytes
kaldo
AF_TC.py
2.6 kB
N3
1
replicated_atoms.xyz
108.5 kB
second.npy
30.2 MB
2
replicated_atoms.xyz
108.5 kB
second.npy
30.2 MB
TC.py
2.8 kB
anharmonic_linewidths
gamma_100K.json
134.9 kB
gamma_200K.json
134.9 kB
gamma_300K.json
134.9 kB
gamma_400K.json
134.9 kB
gamma_500K.json
134.9 kB
submit.job
201 Bytes