thinnest-metallic-wire-v2.zip
MaterialsCloud
README.txt
6.4 kB
ag2se2
initial
ag2se2.dyn0
310 Bytes
ag2se2.dyn1
9.1 kB
ag2se2.dyn2
13.3 kB
ag2se2.dyn3
13.3 kB
ag2se2.dyn4
9.1 kB
magnetization
ag2se2.antiferromagnet.phaseI.x.in
1.3 kB
ag2se2.antiferromagnet.phaseI.x.out
58.0 kB
ag2se2.antiferromagnet.phaseI.z.in
1.3 kB
ag2se2.antiferromagnet.phaseI.z.out
59.0 kB
ag2se2.ferromagnet.phaseI.x.in
1.2 kB
ag2se2.ferromagnet.phaseI.x.out
138.7 kB
ag2se2.ferromagnet.phaseI.z.in
1.2 kB
ag2se2.ferromagnet.phaseI.z.out
140.5 kB
ph.in
270 Bytes
ph.out
201.4 kB
scf.in
1.2 kB
scf.out
60.4 kB
reconstructed
ag2se2.dos.fine.dat
32.1 MB
ag2se2.dyn0
456 Bytes
ag2se2.dyn1
32.0 kB
ag2se2.dyn2
48.5 kB
ag2se2.dyn3
48.5 kB
ag2se2.dyn4
48.5 kB
ag2se2.dyn5
48.5 kB
ag2se2.dyn6
32.0 kB
ag2se2.projbands
4.4 MB
dos.in
82 Bytes
dos.out
2.0 kB
magnetization
ag2se2.antiferromagnet.1122.x.in
1.6 kB
ag2se2.antiferromagnet.1122.x.out
57.7 kB
ag2se2.antiferromagnet.1122.y.in
1.6 kB
ag2se2.antiferromagnet.1122.y.out
822.3 kB
ag2se2.antiferromagnet.1122.z.in
1.6 kB
ag2se2.antiferromagnet.1122.z.out
58.4 kB
ag2se2.antiferromagnet.1212.x.in
1.6 kB
ag2se2.antiferromagnet.1212.x.out
56.8 kB
ag2se2.antiferromagnet.1212.y.in
1.6 kB
ag2se2.antiferromagnet.1212.y.out
821.9 kB
ag2se2.antiferromagnet.1212.z.in
1.6 kB
ag2se2.antiferromagnet.1212.z.out
56.7 kB
ag2se2.ferromagnet.x.in
3.0 kB
ag2se2.ferromagnet.x.out
56.2 kB
ag2se2.ferromagnet.y.in
1.5 kB
ag2se2.ferromagnet.y.out
988.7 kB
ag2se2.ferromagnet.z.in
1.5 kB
ag2se2.ferromagnet.z.out
56.9 kB
nscf_300.in
1.4 kB
nscf_300.out
222.4 kB
pdos.in
103 Bytes
pdos.k.out
4.2 MB
ph.in
386 Bytes
ph.out
158.2 kB
scf.in
1.4 kB
scf.out
1.4 kB
scf_300.in
1.4 kB
scf_300.out
232.8 kB
soc
bands_soc
Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF
3.5 MB
Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF
1.3 MB
ag2se2.dat.gnu
174.1 kB
ag2se2.dat.rap
71.9 kB
ag2se2.soc.projbands
10.8 MB
bands.soc.in
6.1 kB
bands.soc.out
113.9 kB
nscf_300_soc.in
1.1 kB
nscf_300_soc.out
285.2 kB
scf.soc.in
1.1 kB
scf.soc.out
51.3 kB
bands_wosoc
Ag.pbe-n-rrkjus_psl.1.0.0.UPF
1.5 MB
Se.pbe-n-rrkjus_psl.1.0.0.UPF
713.5 kB
ag2se2.wosoc.dat
41.9 kB
ag2se2.wosoc.dat.gnu
87.0 kB
ag2se2.wosoc.dat.rap
38.3 kB
bands.wosoc.in
6.1 kB
bands.wosoc.out
74.7 kB
scf.wosoc.in
1.1 kB
scf.wosoc.out
42.7 kB
ags4w
initial
ags4w.dyn0
310 Bytes
ags4w.dyn1
18.8 kB
ags4w.dyn2
28.1 kB
ags4w.dyn3
28.1 kB
ags4w.dyn4
18.8 kB
ph.in
303 Bytes
ph.out
315.6 kB
scf.in
1.2 kB
scf.out
35.5 kB
reconstructed
SCags4w.dyn
599.9 kB
SCags4w.dyn0
237 Bytes
ph.in
210 Bytes
ph.out
196.9 kB
ph_restart.out
210.7 kB
ph_restart2.out
184.1 kB
scf.in
3.3 kB
scf.out
52.3 kB
as4pd8
initial
as4pd8.dyn0
456 Bytes
as4pd8.dyn1
69.4 kB
as4pd8.dyn2
106.5 kB
as4pd8.dyn3
106.5 kB
as4pd8.dyn4
106.5 kB
as4pd8.dyn5
106.5 kB
as4pd8.dyn6
69.4 kB
ph.in
259 Bytes
ph.out
416.2 kB
scf.in
1.6 kB
scf.out
47.0 kB
reconstructed
phGamma
as4pd8.dyn1
1.1 MB
ph.in
269 Bytes
ph.out
149.5 kB
ph_10.out
146.8 kB
ph_12.out
147.2 kB
ph_13.out
40.5 kB
ph_2.out
148.9 kB
ph_3.out
129.1 kB
ph_4.out
146.4 kB
ph_5.out
136.4 kB
ph_6.out
145.9 kB
ph_7.out
147.2 kB
ph_8.out
148.4 kB
ph_9.out
147.1 kB
phZeta
as4pd8.dyn0
237 Bytes
as4pd8.dyn3
1.1 MB
ph.in
298 Bytes
ph.out
135.3 kB
ph_10.out
103.1 kB
ph_11.out
104.7 kB
ph_12.out
37.5 kB
ph_13.out
35.7 kB
ph_14.out
68.2 kB
ph_15.out
64.0 kB
ph_2.out
97.6 kB
ph_3.out
105.7 kB
ph_4.out
96.5 kB
ph_5.out
104.6 kB
ph_6.out
103.0 kB
ph_7.out
102.5 kB
ph_8.out
103.2 kB
ph_9.out
102.5 kB
ph_final.out
38.1 kB
scf.in
1.6 kB
scf.out
47.0 kB
ause2
initial
ause2.dyn0
310 Bytes
ause2.dyn1
5.7 kB
ause2.dyn2
8.1 kB
ause2.dyn3
8.1 kB
ause2.dyn4
5.7 kB
ph.in
264 Bytes
ph.out
179.9 kB
scf.in
1.1 kB
scf.out
25.5 kB
reconstructed
ause2.dyn0
456 Bytes
ause2.dyn1
18.7 kB
ause2.dyn2
28.1 kB
ause2.dyn3
28.1 kB
ause2.dyn4
28.1 kB
ause2.dyn5
28.1 kB
ause2.dyn6
18.7 kB
ph.in
284 Bytes
ph.out
284 Bytes
scf.in
1.3 kB
scf.out
26.4 kB
bi2s2
initial
bi2s2.dyn0
456 Bytes
bi2s2.dyn1
9.1 kB
bi2s2.dyn2
13.3 kB
bi2s2.dyn3
13.3 kB
bi2s2.dyn4
13.3 kB
bi2s2.dyn5
13.3 kB
bi2s2.dyn6
9.1 kB
ph12.out
181.1 kB
ph13.in
237 Bytes
ph34.out
156.8 kB
ph46.in
237 Bytes
scf.in
1.1 kB
scf.out
28.2 kB
reconstructed
bi2s2.dyn0
456 Bytes
bi2s2.dyn1
188.0 kB
bi2s2.dyn2
290.9 kB
bi2s2.dyn3
290.9 kB
bi2s2.dyn4
290.9 kB
bi2s2.dyn5
290.9 kB
bi2s2.dyn6
188.0 kB
ph.in
243 Bytes
ph12.out
530.0 kB
ph3.out
212.5 kB
ph4.out
305.1 kB
ph5.out
209.1 kB
ph6.out
203.7 kB
scf.in
2.2 kB
scf.out
41.2 kB
c2cu
initial
c2cu.dos.fine.dat
39.4 MB
c2cu.dyn0
456 Bytes
c2cu.dyn1
5.7 kB
c2cu.dyn2
8.1 kB
c2cu.dyn3
8.1 kB
c2cu.dyn4
8.1 kB
c2cu.dyn5
8.1 kB
c2cu.dyn6
5.7 kB
c2cu.projbands
555.9 kB
dos.in
78 Bytes
dos.out
2.1 kB
flexible_electronic
s-10
bands.-10.in
1.6 kB
bands.-10.out
162.6 kB
c2cu.-10.dat
123.7 kB
c2cu.-10.dat.gnu
276.0 kB
relax.-10.1.out
1.0 MB
relax.-10.2.out
954.4 kB
relax.-10.3.out
1.1 MB
relax.-10.4.out
48.9 kB
relax.-10.in
1.9 kB
relax.-10.out
3.1 MB
scf.-10.100.in
1.5 kB
scf.-10.100.out
31.1 kB
scf.-10.in
1.5 kB
scf.-10.out
74.9 kB
s-20
bands.-20.in
1.6 kB
bands.-20.out
167.1 kB
c2cu.-20.dat
123.7 kB
c2cu.-20.dat.gnu
276.0 kB
relax.-20.1.out
1.1 MB
relax.-20.2.out
1.0 MB
relax.-20.3.out
1.1 MB
relax.-20.4.out
1.2 MB
relax.-20.5.out
840.1 kB
relax.-20.in
1.9 kB
relax.-20.out
5.3 MB
scf.-20.in
1.5 kB
scf.-20.out
75.9 kB
s-30
bands.-30.in
2.5 kB
bands.-30.out
162.9 kB
c2cu.-30.dat
123.7 kB
c2cu.-30.dat.gnu
276.0 kB
relax.-30.1.out
1.1 MB
relax.-30.10.out
1.1 MB
relax.-30.11.out
2.9 MB
relax.-30.12.out
1.2 MB
relax.-30.2.out
1.1 MB
relax.-30.3.out
1.2 MB
relax.-30.4.out
1.3 MB
relax.-30.5.out
1.3 MB
relax.-30.6.out
1.2 MB
relax.-30.7.out
1.2 MB
relax.-30.8.out
1.2 MB
relax.-30.9.out
1.2 MB
relax.-30.in
1.9 kB
relax.-30.out
16.0 MB
scf.-30.in
2.5 kB
scf.-30.out
69.2 kB
s0
bands.plain.in
1.6 kB
bands.plain.out
167.8 kB
c2cu.plain.dat
123.7 kB
c2cu.plain.dat.gnu
276.0 kB
relax.plain.in
1.9 kB
relax.plain.out
72.1 kB
scf.plain.100.in
1.5 kB
scf.plain.100.out
197.0 kB
scf.plain.in
1.5 kB
scf.plain.out
74.8 kB
s10
bands.10.in
2.0 kB
bands.10.out
162.6 kB
c2cu.10.dat
123.7 kB
c2cu.10.dat.gnu
276.0 kB
relax.10.1.out
149.7 kB
relax.10.4.out
1.6 MB
relax.10.5.out
56.8 kB
relax.10.in
1.9 kB
relax.10.out
1.6 MB
scf.10.in
2.4 kB
scf.10.out
75.4 kB
hybrid_calculations
HSE06
C.upf
171.7 kB
Cu.upf
279.8 kB
c2cu.dat
5.4 kB
c2cu.dat.gnu
9.9 kB
c2cu.dat.rap
5.0 kB
plotband.in
69 Bytes
plotband.out
40.6 kB
scf.in
1.1 kB
scf.out
75.8 kB
PBE
C.upf
171.7 kB
Cu.upf
279.8 kB
c2cu.dat
10.5 kB
c2cu.dat.gnu
19.3 kB
c2cu.dat.rap
9.8 kB
plotband.in
69 Bytes
plotband.out
75.3 kB
scf.in
1.1 kB
scf.out
28.0 kB
magnetization
c2cu.antiferromagnet.x.in
1.4 kB
c2cu.antiferromagnet.x.noncollinear.in
1.4 kB
c2cu.antiferromagnet.x.noncollinear.out
181.3 kB
c2cu.antiferromagnet.x.out
89.5 kB
c2cu.antiferromagnet.z.in
1.4 kB
c2cu.antiferromagnet.z.out
89.4 kB
c2cu.ferromagnet.x.in
1.2 kB
c2cu.ferromagnet.x.noncollinear.double_cell.in
1.4 kB
c2cu.ferromagnet.x.noncollinear.double_cell.out
107.5 kB
c2cu.ferromagnet.x.noncollinear.single_cell.in
1.1 kB
c2cu.ferromagnet.x.noncollinear.single_cell.out
129.7 kB
c2cu.ferromagnet.x.out
79.1 kB
c2cu.ferromagnet.z.in
1.2 kB
c2cu.ferromagnet.z.out
79.4 kB
kmesh_115
c2cu.antiferromagnetic.z.in
1.3 kB
c2cu.antiferromagnetic.z.out
68.5 kB
c2cu.antiferromanget.x.noncollinear.double_cell.in
1.4 kB
c2cu.antiferromanget.x.noncollinear.double_cell.out
106.2 kB
c2cu.ferromagnetic.z.double_cell.in
1.2 kB
c2cu.ferromagnetic.z.double_cell.out
65.8 kB
c2cu.ferromagnetic.z.in
1.1 kB
c2cu.ferromagnetic.z.out
88.0 kB
c2cu.ferromanget.x.noncollinear.single_cell.in
1.1 kB
c2cu.ferromanget.x.noncollinear.single_cell.out
95.1 kB
c2cu.nonmagnetic.in
1.4 kB
c2cu.nonmagnetic.out
36.2 kB
nscf.in
1.0 kB
nscf.out
111.4 kB
oxidation_reactivity
c2cu.rVV10.nspin.in
1.4 kB
c2cu.rVV10.nspin.out
218.4 kB
o2.rVV10.nspin.x.in
956 Bytes
o2.rVV10.nspin.x.out
330.4 kB
o2.rVV10.nspin.y.in
936 Bytes
o2.rVV10.nspin.y.out
99.7 kB
o2.rVV10.nspin.z.in
963 Bytes
o2.rVV10.nspin.z.out
99.0 kB
relax.Bx.4.in
1.6 kB
relax.Bx.4.tot.out
500.0 kB
relax.By.2.5.in
1.6 kB
relax.By.2.5.tot.out
4.7 MB
relax.By.4.in
1.6 kB
relax.By.4.tot.out
9.6 MB
relax.Bz.2.in
1.6 kB
relax.Bz.2.tot.out
2.2 MB
relax.Bz.4.in
1.6 kB
relax.Bz.4.tot.out
471.3 kB
relax.Ty.3.in
1.6 kB
relax.Ty.3.tot.out
5.8 MB
relax.Ty.4.in
1.6 kB
relax.Ty.4.tot.out
930.1 kB
relax.Tz.1.8.in
1.6 kB
relax.Tz.1.8.tot.out
8.5 MB
relax.Tz.4.in
1.6 kB
relax.Tz.4.tot.out
474.8 kB
pdos.in
84 Bytes
pdos.out
428.8 kB
ph.in
239 Bytes
ph.out
182.4 kB
scf.in
1.1 kB
scf.out
65.3 kB
scf_300.in
1.1 kB
scf_300.out
130.5 kB
cdi3
initial
cdi3.dyn0
456 Bytes
cdi3.dyn1
9.1 kB
cdi3.dyn2
13.3 kB
cdi3.dyn3
13.3 kB
cdi3.dyn4
13.3 kB
cdi3.dyn5
13.3 kB
cdi3.dyn6
9.1 kB
ph.in
216 Bytes
ph.out
305.3 kB
scf.in
1.2 kB
scf.out
35.5 kB
recontsructed
3SCcdi3.dyn0
456 Bytes
3SCcdi3.dyn1
69.4 kB
3SCcdi3.dyn2
106.5 kB
3SCcdi3.dyn3
106.5 kB
3SCcdi3.dyn4
106.5 kB
3SCcdi3.dyn5
106.5 kB
3SCcdi3.dyn6
69.4 kB
ph.in
215 Bytes
ph.out
569.0 kB
ph_restart.out
427.5 kB
scf.in
1.7 kB
scf.out
37.6 kB
cl2o2pb2
initial
cl2o2pb2.dyn0
310 Bytes
cl2o2pb2.dyn1
18.8 kB
cl2o2pb2.dyn2
28.1 kB
cl2o2pb2.dyn3
28.1 kB
cl2o2pb2.dyn4
18.8 kB
ph.in
210 Bytes
ph.out
157.4 kB
scf.in
1.3 kB
scf.out
35.9 kB
reconstructed
Zcl2o2pb2.dyn0
456 Bytes
Zcl2o2pb2.dyn1
75.5 kB
Zcl2o2pb2.dyn2
106.6 kB
Zcl2o2pb2.dyn3
106.6 kB
Zcl2o2pb2.dyn4
106.6 kB
Zcl2o2pb2.dyn5
106.6 kB
Zcl2o2pb2.dyn6
69.5 kB
ph.in
236 Bytes
ph1.out
117.7 kB
ph2.out
127.0 kB
ph3.out
126.2 kB
ph4.out
126.2 kB
ph5.out
124.8 kB
ph6.out
117.2 kB
scf.in
1.7 kB
scf.out
1.7 kB
hf2se6
initial
hf2se6.dyn0
456 Bytes
hf2se6.dyn1
32.0 kB
hf2se6.dyn2
48.5 kB
hf2se6.dyn3
48.5 kB
hf2se6.dyn4
48.5 kB
hf2se6.dyn5
48.5 kB
hf2se6.dyn6
32.0 kB
ph12.in
240 Bytes
ph12.out
299.1 kB
ph34.in
240 Bytes
ph34.out
246.6 kB
ph56.in
240 Bytes
ph56.out
191.7 kB
scf.in
1.4 kB
scf.out
39.3 kB
reconstructed
Ghf2se6.dyn0
456 Bytes
Ghf2se6.dyn1
32.0 kB
Ghf2se6.dyn2
48.5 kB
Ghf2se6.dyn3
48.5 kB
Ghf2se6.dyn4
48.5 kB
Ghf2se6.dyn5
48.5 kB
Ghf2se6.dyn6
32.0 kB
ph.in
242 Bytes
ph12.out
199.1 kB
ph34.out
189.2 kB
ph56.out
169.1 kB
scf.in
1.4 kB
scf.out
1.4 kB
ite2
initial
ite2.dyn0
456 Bytes
ite2.dyn1
5.7 kB
ite2.dyn2
8.1 kB
ite2.dyn3
8.1 kB
ite2.dyn4
8.1 kB
ite2.dyn5
8.1 kB
ite2.dyn6
5.7 kB
ph.in
216 Bytes
ph.out
258.1 kB
scf.in
1.1 kB
scf.out
33.9 kB
reconstructed
GZite2.dyn0
456 Bytes
GZite2.dyn1
18.7 kB
GZite2.dyn2
28.1 kB
GZite2.dyn3
28.1 kB
GZite2.dyn4
28.1 kB
GZite2.dyn5
28.1 kB
GZite2.dyn6
18.7 kB
ph.in
226 Bytes
ph.out
368.1 kB
scf.in
1.2 kB
scf.out
1.2 kB
pb2se
initial
pb2se.dyn0
237 Bytes
pb2se.dyn1
5.7 kB
pb2se.dyn2
8.1 kB
pb2se.dyn3
5.7 kB
ph.in
233 Bytes
ph.out
123.5 kB
scf.in
1.1 kB
scf.out
28.6 kB
reconstructed
GZpb2se.dyn0
456 Bytes
GZpb2se.dyn1
18.7 kB
GZpb2se.dyn2
28.1 kB
GZpb2se.dyn3
28.1 kB
GZpb2se.dyn4
28.1 kB
GZpb2se.dyn5
28.1 kB
GZpb2se.dyn6
18.7 kB
ph.in
219 Bytes
ph.out
445.5 kB
scf.in
1.3 kB
scf.out
36.4 kB
s3sn
initial
ph.in
205 Bytes
ph.out
169.1 kB
s3sn.dyn0
456 Bytes
s3sn.dyn1
9.1 kB
s3sn.dyn2
13.3 kB
s3sn.dyn3
13.3 kB
s3sn.dyn4
13.3 kB
s3sn.dyn5
13.3 kB
s3sn.dyn6
9.1 kB
scf.in
1.2 kB
scf.out
48.5 kB
reconstructed
scf_4cell.in
2.0 kB
scf_5cell.in
2.2 kB
sb2te2
initial
dos.in
82 Bytes
dos.out
2.0 kB
magnetization
sb2te2.antiferromagnet.1212.x.single_cell.in
1.3 kB
sb2te2.antiferromagnet.1212.x.single_cell.out
49.0 kB
sb2te2.antiferromagnet.1212.y.single_cell.in
1.3 kB
sb2te2.antiferromagnet.1212.y.single_cell.out
349.9 kB
sb2te2.antiferromagnet.1212.z.single_cell.in
1.3 kB
sb2te2.antiferromagnet.1212.z.single_cell.out
49.3 kB
sb2te2.antiferromagnet.x.alternate.double_cell.in
1.7 kB
sb2te2.antiferromagnet.x.alternate.double_cell.out
53.2 kB
sb2te2.antiferromagnet.x.double_cell.in
1.7 kB
sb2te2.antiferromagnet.x.double_cell.out
53.2 kB
sb2te2.antiferromagnet.z.alternate.double_cell.in
1.7 kB
sb2te2.antiferromagnet.z.alternate.double_cell.out
52.4 kB
sb2te2.antiferromagnet.z.double_cell.in
1.7 kB
sb2te2.antiferromagnet.z.double_cell.out
53.2 kB
sb2te2.ferromagnet.x.in
1.3 kB
sb2te2.ferromagnet.x.out
49.0 kB
sb2te2.ferromagnet.y.in
1.3 kB
sb2te2.ferromagnet.y.out
348.6 kB
sb2te2.ferromagnet.z.in
1.3 kB
sb2te2.ferromagnet.z.out
49.3 kB
nscf_300.in
1.1 kB
nscf_300.out
123.4 kB
pdos.in
107 Bytes
pdos.k.out
870.0 kB
ph.in
206 Bytes
ph.out
315.6 kB
sb2te2.dos.fine.dat
10.5 MB
sb2te2.dyn0
821 Bytes
sb2te2.dyn1
9.1 kB
sb2te2.dyn10
13.3 kB
sb2te2.dyn11
9.1 kB
sb2te2.dyn2
13.3 kB
sb2te2.dyn3
13.3 kB
sb2te2.dyn4
13.3 kB
sb2te2.dyn5
13.3 kB
sb2te2.dyn6
13.3 kB
sb2te2.dyn7
13.3 kB
sb2te2.dyn8
13.3 kB
sb2te2.dyn9
13.3 kB
sb2te2.projbands
922.8 kB
scf.in
1.1 kB
scf.out
36.6 kB
scf_300.in
1.1 kB
scf_300.out
135.4 kB
soc
bands_soc
Sb_ONCV_PBE_FR-1.1.upf
167.4 kB
Te_ONCV_PBE_FR-1.1.upf
167.4 kB
bands.in
6.0 kB
bands.out
107.8 kB
sb2te2.soc.dat
71.5 kB
sb2te2.soc.dat.gnu
155.5 kB
sb2te2.soc.dat.rap
64.6 kB
scf.in
930 Bytes
scf.out
55.7 kB
bands_wosoc
Sb_ONCV_PBE-1.1.upf
115.5 kB
Te_ONCV_PBE-1.1.upf
115.5 kB
bands.in
6.0 kB
bands.out
72.6 kB
sb2te2.wosoc.dat
37.8 kB
sb2te2.wosoc.dat.gnu
77.8 kB
sb2te2.wosoc.dat.rap
34.6 kB
scf.in
892 Bytes
scf.out
43.6 kB
tase3
initial
dos.in
80 Bytes
dos.out
2.0 kB
magnetization
tase3.antiferromagnet.x.in
1.6 kB
tase3.antiferromagnet.x.out
51.3 kB
tase3.antiferromagnet.z.in
1.6 kB
tase3.antiferromagnet.z.out
50.8 kB
tase3.ferromagnet.x.in
1.2 kB
tase3.ferromagnet.x.out
48.1 kB
tase3.ferromagnet.z.in
1.2 kB
tase3.ferromagnet.z.out
49.2 kB
nscf_300.in
1.1 kB
nscf_300.out
109.1 kB
pdos.in
101 Bytes
pdos.k.out
760.7 kB
ph.in
202 Bytes
ph.out
290.7 kB
plotband.in
71 Bytes
plotband.out
131.5 kB
scf.in
1.1 kB
scf.out
34.5 kB
scf_300.in
1.2 kB
scf_300.out
120.5 kB
soc
bands_soc
Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF
1.3 MB
Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
3.8 MB
bands.in
6.0 kB
bands.out
75.2 kB
scf.in
945 Bytes
scf.out
45.1 kB
tase3.soc.dat
40.5 kB
tase3.soc.dat.gnu
84.1 kB
tase3.soc.dat.rap
37.0 kB
bands_wosoc
Se.pbe-n-rrkjus_psl.1.0.0.UPF
713.5 kB
Ta.pbe-spn-rrkjus_psl.1.0.0.UPF
1.5 MB
bands.in
6.0 kB
bands.out
57.1 kB
scf.in
905 Bytes
scf.out
41.6 kB
tase3.wosoc.dat
22.3 kB
tase3.wosoc.dat.gnu
42.0 kB
tase3.wosoc.dat.rap
20.8 kB
tase3.dos.fine.dat
24.2 MB
tase3.dyn0
456 Bytes
tase3.dyn1
9.1 kB
tase3.dyn2
13.3 kB
tase3.dyn3
13.3 kB
tase3.dyn4
13.3 kB
tase3.dyn5
13.3 kB
tase3.dyn6
9.1 kB
tase3.projbands
714.4 kB