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__MACOSX
data
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3.9 kB
elastic.yaml.DD_DQ_QQ.4
3.9 kB
elastic.yaml.DD_DQ_QQ.6
3.9 kB
elastic.yaml.DD_DQ_QQ.8
3.9 kB
phonons
.DS_Store
10.2 kB
10
band.DD.10
107.3 kB
band.QQ.10
107.3 kB
band.full.DD.10
80.5 kB
band.full.QQ.10
80.5 kB
inse.dyn0
1.0 kB
inse.dyn1
10.2 kB
inse.dyn10
55.3 kB
inse.dyn11
30.0 kB
inse.dyn12
55.3 kB
inse.dyn13
30.0 kB
inse.dyn14
30.0 kB
inse.dyn2
30.0 kB
inse.dyn3
30.0 kB
inse.dyn4
30.0 kB
inse.dyn5
30.0 kB
inse.dyn6
17.4 kB
inse.dyn7
30.0 kB
inse.dyn8
55.3 kB
inse.dyn9
55.3 kB
12
band.DD.12
107.3 kB
band.QQ.12
107.3 kB
band.full.DD.12
80.5 kB
band.full.QQ.12
80.5 kB
inse.dyn0
1.4 kB
inse.dyn1
10.2 kB
inse.dyn10
55.3 kB
inse.dyn11
55.3 kB
inse.dyn12
55.3 kB
inse.dyn13
30.0 kB
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55.3 kB
inse.dyn15
55.3 kB
inse.dyn16
30.0 kB
inse.dyn17
30.0 kB
inse.dyn18
55.3 kB
inse.dyn19
13.2 kB
inse.dyn2
30.0 kB
inse.dyn3
30.0 kB
inse.dyn4
30.0 kB
inse.dyn5
30.0 kB
inse.dyn6
30.0 kB
inse.dyn7
17.4 kB
inse.dyn8
30.0 kB
inse.dyn9
55.3 kB
14
band.DD.14
107.3 kB
band.QQ.14
107.3 kB
band.full.DD.14
80.5 kB
band.full.QQ.14
80.5 kB
inse.dyn0
1.8 kB
inse.dyn1
10.2 kB
inse.dyn10
55.3 kB
inse.dyn11
55.3 kB
inse.dyn12
55.3 kB
inse.dyn13
55.3 kB
inse.dyn14
55.3 kB
inse.dyn15
30.0 kB
inse.dyn16
55.3 kB
inse.dyn17
55.3 kB
inse.dyn18
55.3 kB
inse.dyn19
30.0 kB
inse.dyn2
30.0 kB
inse.dyn20
30.0 kB
inse.dyn21
55.3 kB
inse.dyn22
55.3 kB
inse.dyn23
30.0 kB
inse.dyn24
30.0 kB
inse.dyn3
30.0 kB
inse.dyn4
30.0 kB
inse.dyn5
30.0 kB
inse.dyn6
30.0 kB
inse.dyn7
30.0 kB
inse.dyn8
17.4 kB
inse.dyn9
30.0 kB
4
band.DD.4
107.3 kB
band.QQ.4
107.3 kB
band.full.DD.4
80.5 kB
band.full.QQ.4
80.5 kB
inse.dyn0
310 Bytes
inse.dyn1
11.2 kB
inse.dyn2
30.0 kB
inse.dyn3
17.4 kB
inse.dyn4
30.0 kB
6
band.DD.6
107.3 kB
band.QQ.6
107.3 kB
band.full.DD.6
80.5 kB
band.full.QQ.6
80.5 kB
inse.dyn0
529 Bytes
inse.dyn1
11.2 kB
inse.dyn2
30.0 kB
inse.dyn3
30.0 kB
inse.dyn4
17.4 kB
inse.dyn5
30.0 kB
inse.dyn6
55.3 kB
inse.dyn7
13.2 kB
8
band.DD.8
107.3 kB
band.QQ.8
107.3 kB
band.full.DD.8
80.5 kB
band.full.QQ.8
80.5 kB
inse.dyn0
748 Bytes
inse.dyn1
11.2 kB
inse.dyn10
30.0 kB
inse.dyn2
30.0 kB
inse.dyn3
30.0 kB
inse.dyn4
30.0 kB
inse.dyn5
17.4 kB
inse.dyn6
30.0 kB
inse.dyn7
55.3 kB
inse.dyn8
55.3 kB
inse.dyn9
30.0 kB
matdyn.in
310 Bytes
q2r.in
3.2 kB
quadrupole.fmt
1.1 kB
scf.in
935 Bytes
MoS2
.DS_Store
6.1 kB
elastic
elastic.yaml.DD.10
3.9 kB
elastic.yaml.DD.12
3.9 kB
elastic.yaml.DD.14
3.9 kB
elastic.yaml.DD.16
3.9 kB
elastic.yaml.DD.4
3.9 kB
elastic.yaml.DD.6
3.9 kB
elastic.yaml.DD.8
3.9 kB
elastic.yaml.DD_DQ_QQ.10
3.9 kB
elastic.yaml.DD_DQ_QQ.12
3.9 kB
elastic.yaml.DD_DQ_QQ.14
3.9 kB
elastic.yaml.DD_DQ_QQ.16
3.9 kB
elastic.yaml.DD_DQ_QQ.4
3.9 kB
elastic.yaml.DD_DQ_QQ.6
3.9 kB
elastic.yaml.DD_DQ_QQ.8
3.9 kB
phonons
.DS_Store
8.2 kB
10
MoS2.dyn0
1.0 kB
MoS2.dyn1
6.5 kB
MoS2.dyn10
32.1 kB
MoS2.dyn11
17.6 kB
MoS2.dyn12
32.1 kB
MoS2.dyn13
17.6 kB
MoS2.dyn14
17.6 kB
MoS2.dyn2
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn4
17.6 kB
MoS2.dyn5
17.6 kB
MoS2.dyn6
10.3 kB
MoS2.dyn7
17.6 kB
MoS2.dyn8
32.1 kB
MoS2.dyn9
32.1 kB
band.DD.10
83.3 kB
band.QQ.10
83.3 kB
band.full.DD.10
62.5 kB
band.full.QQ.10
62.5 kB
12
MoS2.dyn0
1.4 kB
MoS2.dyn1
6.5 kB
MoS2.dyn10
32.1 kB
MoS2.dyn11
32.1 kB
MoS2.dyn12
32.1 kB
MoS2.dyn13
17.6 kB
MoS2.dyn14
32.1 kB
MoS2.dyn15
32.1 kB
MoS2.dyn16
17.6 kB
MoS2.dyn17
17.6 kB
MoS2.dyn18
32.1 kB
MoS2.dyn19
7.9 kB
MoS2.dyn2
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn4
17.6 kB
MoS2.dyn5
17.6 kB
MoS2.dyn6
17.6 kB
MoS2.dyn7
10.3 kB
MoS2.dyn8
17.6 kB
MoS2.dyn9
32.1 kB
band.DD.12
83.3 kB
band.QQ.12
83.3 kB
band.full.DD.12
62.5 kB
band.full.QQ.12
62.5 kB
14
MoS2.dyn0
1.8 kB
MoS2.dyn1
6.5 kB
MoS2.dyn10
32.1 kB
MoS2.dyn11
32.1 kB
MoS2.dyn12
32.1 kB
MoS2.dyn13
32.1 kB
MoS2.dyn14
32.1 kB
MoS2.dyn15
17.6 kB
MoS2.dyn16
32.1 kB
MoS2.dyn17
32.1 kB
MoS2.dyn18
32.1 kB
MoS2.dyn19
17.6 kB
MoS2.dyn2
17.6 kB
MoS2.dyn20
17.6 kB
MoS2.dyn21
32.1 kB
MoS2.dyn22
32.1 kB
MoS2.dyn23
17.6 kB
MoS2.dyn24
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn4
17.6 kB
MoS2.dyn5
17.6 kB
MoS2.dyn6
17.6 kB
MoS2.dyn7
17.6 kB
MoS2.dyn8
10.3 kB
MoS2.dyn9
17.6 kB
band.DD.14
83.3 kB
band.QQ.14
83.3 kB
band.full.DD.14
62.5 kB
band.full.QQ.14
62.5 kB
16
MoS2.dyn0
2.2 kB
MoS2.dyn1
6.5 kB
MoS2.dyn10
17.6 kB
MoS2.dyn11
32.1 kB
MoS2.dyn12
32.1 kB
MoS2.dyn13
32.1 kB
MoS2.dyn14
32.1 kB
MoS2.dyn15
32.1 kB
MoS2.dyn16
32.1 kB
MoS2.dyn17
17.6 kB
MoS2.dyn18
32.1 kB
MoS2.dyn19
32.1 kB
MoS2.dyn2
17.6 kB
MoS2.dyn20
32.1 kB
MoS2.dyn21
32.1 kB
MoS2.dyn22
17.6 kB
MoS2.dyn23
17.6 kB
MoS2.dyn24
32.1 kB
MoS2.dyn25
32.1 kB
MoS2.dyn26
32.1 kB
MoS2.dyn27
17.6 kB
MoS2.dyn28
32.1 kB
MoS2.dyn29
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn30
17.6 kB
MoS2.dyn4
17.6 kB
MoS2.dyn5
17.6 kB
MoS2.dyn6
17.6 kB
MoS2.dyn7
17.6 kB
MoS2.dyn8
17.6 kB
MoS2.dyn9
10.3 kB
band.DD.16
83.3 kB
band.QQ.16
83.3 kB
band.full.DD.16
62.5 kB
band.full.QQ.16
62.5 kB
4
MoS2.dyn0
310 Bytes
MoS2.dyn1
7.3 kB
MoS2.dyn2
17.6 kB
MoS2.dyn3
10.3 kB
MoS2.dyn4
17.6 kB
band.DD.4
83.3 kB
band.QQ.4
83.3 kB
band.full.DD.4
62.5 kB
band.full.QQ.4
62.5 kB
6
MoS2.dyn0
529 Bytes
MoS2.dyn1
7.3 kB
MoS2.dyn2
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn4
10.3 kB
MoS2.dyn5
17.6 kB
MoS2.dyn6
32.1 kB
MoS2.dyn7
7.9 kB
band.DD.6
83.3 kB
band.QQ.6
83.3 kB
band.full.DD.6
62.5 kB
band.full.QQ.6
62.5 kB
8
MoS2.dyn0
748 Bytes
MoS2.dyn1
7.3 kB
MoS2.dyn10
17.6 kB
MoS2.dyn2
17.6 kB
MoS2.dyn3
17.6 kB
MoS2.dyn4
17.6 kB
MoS2.dyn5
10.3 kB
MoS2.dyn6
17.6 kB
MoS2.dyn7
32.1 kB
MoS2.dyn8
32.1 kB
MoS2.dyn9
17.6 kB
band.DD.8
83.3 kB
band.QQ.8
83.3 kB
band.full.DD.8
62.5 kB
band.full.QQ.8
62.5 kB
matdyn.in
290 Bytes
q2r.in
3.2 kB
quadrupole.fmt
839 Bytes
scf.in
854 Bytes
NaCl
.DS_Store
6.1 kB
elastic
elastic.yaml.DD.10
4.9 kB
elastic.yaml.DD.12
4.9 kB
elastic.yaml.DD.4
4.9 kB
elastic.yaml.DD.6
4.9 kB
elastic.yaml.DD.8
4.9 kB
elastic.yaml.DD_DO_DeD.10
4.9 kB
elastic.yaml.DD_DO_DeD.12
4.9 kB
elastic.yaml.DD_DO_DeD.4
4.9 kB
elastic.yaml.DD_DO_DeD.6
4.9 kB
elastic.yaml.DD_DO_DeD.8
4.9 kB
elastic.yaml.full.10
4.6 kB
elastic.yaml.full.12
4.6 kB
elastic.yaml.full.4
4.6 kB
elastic.yaml.full.6
4.6 kB
elastic.yaml.full.8
4.6 kB
phonons
.DS_Store
8.2 kB
10
12
4
6
8
drhodv
epsilon.fmt
4.0 kB
matdyn.in
343 Bytes
octupole.fmt
7.5 kB
q2r.in
3.2 kB
quadrupole.fmt
1.1 kB
scf.in
884 Bytes
Si
.DS_Store
6.1 kB
elastic
elastic.yaml.10
4.9 kB
elastic.yaml.12
4.9 kB
elastic.yaml.14
4.9 kB
elastic.yaml.4
4.9 kB
elastic.yaml.6
4.9 kB
elastic.yaml.8
4.9 kB
phonons
.DS_Store
6.1 kB
10
aiida.dynmat0
3.4 kB
aiida.dynmat1
4.4 kB
aiida.dynmat10
29.0 kB
aiida.dynmat11
29.0 kB
aiida.dynmat12
29.0 kB
aiida.dynmat13
29.0 kB
aiida.dynmat14
29.0 kB
aiida.dynmat15
15.5 kB
aiida.dynmat16
8.7 kB
aiida.dynmat17
29.0 kB
aiida.dynmat18
29.0 kB
aiida.dynmat19
29.0 kB
aiida.dynmat2
11.0 kB
aiida.dynmat20
29.0 kB
aiida.dynmat21
29.0 kB
aiida.dynmat22
15.5 kB
aiida.dynmat23
8.7 kB
aiida.dynmat24
29.0 kB
aiida.dynmat25
29.0 kB
aiida.dynmat26
29.0 kB
aiida.dynmat27
15.5 kB
aiida.dynmat28
8.7 kB
aiida.dynmat29
29.0 kB
aiida.dynmat3
11.0 kB
aiida.dynmat30
15.5 kB
aiida.dynmat31
5.3 kB
aiida.dynmat32
29.0 kB
aiida.dynmat33
56.1 kB
aiida.dynmat34
56.1 kB
aiida.dynmat35
29.0 kB
aiida.dynmat36
29.0 kB
aiida.dynmat37
56.1 kB
aiida.dynmat38
56.1 kB
aiida.dynmat39
56.1 kB
aiida.dynmat4
11.0 kB
aiida.dynmat40
29.0 kB
aiida.dynmat41
29.0 kB
aiida.dynmat42
56.1 kB
aiida.dynmat43
29.0 kB
aiida.dynmat44
15.5 kB
aiida.dynmat45
29.0 kB
aiida.dynmat46
29.0 kB
aiida.dynmat47
15.5 kB
aiida.dynmat5
11.0 kB
aiida.dynmat6
6.5 kB
aiida.dynmat7
8.7 kB
aiida.dynmat8
29.0 kB
aiida.dynmat9
29.0 kB
phband.dat.10
50.7 kB
12
14
4
6
aiida.dynmat0
1.2 kB
aiida.dynmat1
4.4 kB
aiida.dynmat10
8.7 kB
aiida.dynmat11
29.0 kB
aiida.dynmat12
15.5 kB
aiida.dynmat13
5.3 kB
aiida.dynmat14
29.0 kB
aiida.dynmat15
29.0 kB
aiida.dynmat16
15.5 kB
aiida.dynmat2
11.0 kB
aiida.dynmat3
11.0 kB
aiida.dynmat4
6.5 kB
aiida.dynmat5
8.7 kB
aiida.dynmat6
29.0 kB
aiida.dynmat7
29.0 kB
aiida.dynmat8
29.0 kB
aiida.dynmat9
15.5 kB
phband.dat.6
50.7 kB
8
aiida.dynmat0
2.1 kB
aiida.dynmat1
4.4 kB
aiida.dynmat12
15.5 kB
aiida.dynmat13
8.7 kB
aiida.dynmat14
29.0 kB
aiida.dynmat15
29.0 kB
aiida.dynmat2
11.0 kB
aiida.dynmat22
29.0 kB
aiida.dynmat23
56.1 kB
aiida.dynmat24
29.0 kB
aiida.dynmat25
29.0 kB
aiida.dynmat3
11.0 kB
aiida.dynmat4
11.0 kB
aiida.dynmat5
6.5 kB
aiida.dynmat6
8.7 kB
aiida.dynmat8
29.0 kB
phband.dat.8
50.7 kB
drhodv
epsilon.fmt
4.0 kB
matdyn.in
359 Bytes
octupole.fmt
7.5 kB
q2r.in
145 Bytes
quadrupole.fmt
1.1 kB
scf.in
711 Bytes
pseudopotentials
As-PBEsol.upf
228.0 kB
B.oncvpsp.upf
183.8 kB
Ba.upf
319.3 kB
C.upf
171.7 kB
Cl.upf
159.5 kB
Ga-PBEsol.upf
314.9 kB
In-PBE.upf
451.7 kB
Mo-PBE.upf
398.4 kB
N.oncvpsp.upf
134.6 kB
Na-sp2.upf
308.1 kB
O.upf
144.2 kB
S-PBE.upf
223.6 kB
Se-PBE.upf
286.6 kB
Si.upf
225.6 kB
Ti.upf
292.1 kB