Mobility_MoS2_strain.zip
Mobility_MoS2_strain
Ab-initio_model
.DS_Store
14.3 kB
code_extension
.DS_Store
6.1 kB
MobilitySimulation-MoS2_strain_impurities.ipynb
13.2 kB
impurities.py
7.8 kB
raw_data_textfiles
.DS_Store
6.1 kB
.Fig_5a_mob.txt.swp
12.3 kB
.output.txt.swo
12.3 kB
Fig_5a_enhancement.txt
340 Bytes
Fig_5d_strain_0.txt
157.7 kB
Fig_5d_strain_1.txt
3.9 kB
Fig_5f.txt
658 Bytes
Fig_5g.txt
683 Bytes
DFT_calculations
strain_0
.DS_Store
6.1 kB
bands
aiida.in
1.4 kB
aiida.out
72.8 kB
bands.dat
72.4 kB
bands.dat.gnu
171.2 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
204.7 kB
dos
aiida.in
1.4 kB
aiida.out
72.8 kB
dos.in
117 Bytes
dos.out
2.4 kB
nscf.in
1.4 kB
nscf.out
1.6 MB
unstrained_doped_dos.dat
2.5 MB
phonons
.DS_Store
6.1 kB
aiida.in
1.4 kB
matdyn.freq
40.1 kB
matdyn.freq.gp
31.3 kB
matdyn.freq.rap
41.9 kB
matdyn.in
329 Bytes
matdyn.modes
865.7 kB
matdyn.out
13.3 kB
ph.in
319 Bytes
ph.out
41.8 kB
q2r.in
65 Bytes
q2r.out
2.9 kB
strain_2
.DS_Store
8.2 kB
EPC_database
MobilitySim_MoS2_strain_2.aiida
2.3 GB
bands
aiida.in
1.5 kB
aiida.out
76.2 kB
bands.dat
72.4 kB
bands.dat.gnu
171.2 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
204.6 kB
dos
.DS_Store
6.1 kB
aiida.in
1.5 kB
aiida.out
76.2 kB
dos.in
115 Bytes
dos.out
2.4 kB
nscf.in
1.4 kB
nscf.out
1.6 MB
strained_doped_dos.dat
2.5 MB
phonons
.DS_Store
8.2 kB
aiida.in
1.5 kB
aiida.out
76.2 kB
dyn0
529 Bytes
dyn1.xml
12.1 kB
dyn2.xml
34.8 kB
dyn3.xml
34.8 kB
dyn4.xml
21.2 kB
dyn5.xml
34.8 kB
dyn6.xml
62.1 kB
dyn7.xml
16.7 kB
matdyn.freq
40.1 kB
matdyn.freq.gp
31.3 kB
matdyn.freq.rap
41.9 kB
matdyn.in
329 Bytes
matdyn.modes
865.7 kB
matdyn.out
13.3 kB
outq2r.fc.xml
111.4 kB
ph.in
319 Bytes
ph.out
41.2 kB
q2r.in
65 Bytes
q2r.out
2.9 kB
EXP_valleys
.DS_Store
10.2 kB
Fig_S32_SI.pdf
2.9 MB
strain_0
.DS_Store
8.2 kB
bands
.DS_Store
6.1 kB
_bands.sh
570 Bytes
aiida.in
8.7 kB
aiida.out
103.1 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
154.1 kB
bands_fixed
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
103.1 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.8 kB
nscf.in
1.6 kB
nscf.out
157.3 kB
dos
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
103.1 kB
dos.in
121 Bytes
dos.out
2.4 kB
nscf.in
1.4 kB
nscf.out
1.1 MB
unstrained_doped_dos.dat
2.5 MB
relax
.DS_Store
6.1 kB
aiida.in
1.1 kB
aiida.out
361.9 kB
strain_05
.DS_Store
6.1 kB
bands
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
103.2 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
154.9 kB
dos
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
103.2 kB
dos.in
121 Bytes
dos.out
34.1 kB
nscf.in
1.4 kB
nscf.out
1.1 MB
unstrained_doped_dos.dat
2.5 MB
relax
.DS_Store
6.1 kB
aiida.in
1.1 kB
aiida.out
278.4 kB
strain_08
.DS_Store
6.1 kB
bands
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
102.4 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
154.5 kB
dos
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
102.4 kB
dos.in
121 Bytes
dos.out
2.4 kB
nscf.in
1.4 kB
nscf.out
1.1 MB
unstrained_doped_dos.dat
2.5 MB
relax
.DS_Store
6.1 kB
aiida.in
1.1 kB
aiida.out
361.1 kB
strain_1
.DS_Store
6.1 kB
bands
.DS_Store
6.1 kB
_bands.sh
570 Bytes
aiida.in
8.7 kB
aiida.out
102.8 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
nscf.in
1.6 kB
nscf.out
154.2 kB
dos
.DS_Store
6.1 kB
aiida.in
8.7 kB
aiida.out
102.8 kB
dos.in
121 Bytes
dos.out
2.5 kB
nscf.in
1.4 kB
nscf.out
210.4 kB
unstrained_doped_dos.dat
2.5 MB
relax
.DS_Store
6.1 kB
aiida.in
1.1 kB
aiida.out
359.2 kB
strain_15
.DS_Store
8.2 kB
bands
.DS_Store
6.1 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
dos
.DS_Store
6.1 kB
dos.in
119 Bytes
dos.out
2.5 kB
strained_doped_dos.dat
2.5 MB
strain_2
.DS_Store
8.2 kB
bands
.DS_Store
6.1 kB
bands.dat
47.9 kB
bands.dat.gnu
107.8 kB
bands.in
69 Bytes
bands.out
2.7 kB
dos
.DS_Store
6.1 kB
dos.in
119 Bytes
dos.out
2.5 kB
strained_doped_dos.dat
2.5 MB
valleys_results
.DS_Store
8.2 kB
data_Fig_5a
Fig_5a_enhancement.txt
341 Bytes
Fig_5a_mob.txt
316 Bytes
valleys.pdf
139.8 kB
README.txt
2.2 kB
pseudo
Mo-sp_r.upf
398.4 kB
S_r.upf
223.6 kB