AEMD.zip
AEMD
PE
1080_repetitions
AEMD.in
4.7 kB
PE.lmp
3.9 MB
aemd_tconv.png
37.3 kB
diffusivity_fit.png
55.6 kB
energy_equil_cold.dat
131.1 kB
energy_equil_hot.dat
140.3 kB
errors.lammps
0 Bytes
log.lammps
46.4 kB
mlip.ini
31 Bytes
output.lammps
54.8 kB
pot.mtp
60.5 kB
run_vsc5.sh
900 Bytes
temp_diff.dat
6.0 MB
temp_diff_equil.dat
702.4 kB
1440_repetitions
AEMD.in
4.7 kB
PE.lmp
5.2 MB
aemd_tconv.png
32.6 kB
diffusivity_fit.png
52.3 kB
energy_equil_cold.dat
132.9 kB
energy_equil_hot.dat
140.7 kB
errors.lammps
0 Bytes
log.lammps
100.0 kB
mlip.ini
31 Bytes
output.lammps
144.5 kB
pot.mtp
60.5 kB
run_vsc5.sh
900 Bytes
temp_diff.dat
8.0 MB
temp_diff_equil.dat
706.7 kB
2160_repetitions
AEMD.in
4.7 kB
PE.lmp
7.9 MB
aemd_tconv.png
36.4 kB
aemd_tconv_kappa.png
119.8 kB
diffusivity_fit.png
57.0 kB
energy_equil_cold.dat
131.6 kB
energy_equil_hot.dat
142.7 kB
errors.lammps
0 Bytes
log.lammps
132.0 kB
mlip.ini
31 Bytes
output.lammps
187.6 kB
pot.mtp
60.5 kB
run_vsc5.sh
900 Bytes
temp_diff.dat
12.1 MB
temp_diff_equil.dat
710.0 kB
432_repetitions
AEMD.in
4.7 kB
PE.lmp
1.5 MB
aemd_oconv.png
44.9 kB
aemd_tconv.png
35.2 kB
diffusivity_fit.png
69.4 kB
energy_equil_cold.dat
131.3 kB
energy_equil_hot.dat
140.5 kB
errors.lammps
0 Bytes
log.lammps
46.3 kB
mlip.ini
31 Bytes
output.lammps
61.5 kB
pot.mtp
60.5 kB
run_vsc5.sh
900 Bytes
temp_diff.dat
4.0 MB
temp_diff_equil.dat
692.2 kB
720_repetitions
AEMD.in
4.7 kB
PE.lmp
2.6 MB
diffusivity_fit.png
56.5 kB
energy_equil_cold.dat
133.8 kB
energy_equil_hot.dat
140.1 kB
errors.lammps
0 Bytes
log.lammps
87.7 kB
mlip.ini
31 Bytes
output.lammps
136.7 kB
pot.mtp
60.5 kB
run_vsc5.sh
1.5 kB
temp_diff.dat
4.0 MB
temp_diff_equil.dat
706.4 kB
PT
128
AEMD.in
4.7 kB
PT.lmp
1.1 MB
aemd_oconv.png
35.7 kB
aemd_tconv.png
34.7 kB
diffusivity_fit.png
71.4 kB
energy_equil_cold.dat
272.6 kB
energy_equil_hot.dat
280.1 kB
log.lammps
44.2 kB
mlip.ini
31 Bytes
output.lammps
58.0 kB
pot.mtp
34.7 kB
run_vsc5.sh
903 Bytes
temp_diff.dat
8.0 MB
temp_diff_equil.dat
1.4 MB
192
AEMD.in
4.7 kB
PT.lmp
1.6 MB
diffusivity_fit.png
62.3 kB
energy_equil_cold.dat
272.7 kB
energy_equil_hot.dat
286.7 kB
log.lammps
189.9 kB
mlip.ini
31 Bytes
output.lammps
312.9 kB
pot.mtp
34.7 kB
run_vsc5.sh
903 Bytes
temp_diff.dat
12.1 MB
temp_diff_equil.dat
1.4 MB
temp_prof.png
161.4 kB
256
AEMD.in
4.7 kB
PT.lmp
2.1 MB
aemd_oconv.png
135.2 kB
aemd_tconv.png
129.7 kB
aemd_tconv_difusivity.png
129.1 kB
aemd_tconv_kappa.png
121.4 kB
diffusivity_fit.png
65.6 kB
energy_equil_cold.dat
273.5 kB
energy_equil_hot.dat
280.1 kB
log.lammps
79.9 kB
mlip.ini
31 Bytes
output.lammps
108.3 kB
pot.mtp
34.7 kB
run_vsc5.sh
903 Bytes
temp_diff.dat
16.2 MB
temp_diff_equil.dat
1.4 MB
384
AEMD.in
4.7 kB
PT.lmp
3.2 MB
diffusivity_fit.png
68.8 kB
energy_equil_cold.dat
272.2 kB
energy_equil_hot.dat
282.7 kB
log.lammps
122.5 kB
mlip.ini
31 Bytes
output.lammps
170.5 kB
pot.mtp
34.7 kB
run_vsc5.sh
903 Bytes
temp_diff.dat
24.4 MB
temp_diff_equil.dat
1.4 MB
512
AEMD.in
4.7 kB
POSCAR
3.4 kB
PT.lmp
4.3 MB
aemd_tconv.png
35.8 kB
diffusivity_fit.png
61.3 kB
energy_equil_cold.dat
272.2 kB
energy_equil_hot.dat
280.4 kB
log.lammps
92.8 kB
mlip.ini
31 Bytes
output.lammps
103.0 kB
pot.mtp
34.7 kB
run_vsc5.sh
903 Bytes
temp_diff.dat
32.5 MB
temp_diff_equil.dat
1.4 MB
thermal_properties.yaml
454 Bytes