1D_ACS_Nano_Exciton.zip
materials_cloud
GW
As2S3
as2s3_nosoc.bands.dat.gnu
303.5 kB
as2s3_soc.bands.dat.gnu
607.0 kB
o-BSE_G0W0.alpha_q1_haydock_bse
269.9 kB
o-BSE_scGW.alpha_q1_haydock_bse
269.9 kB
o-G0W0.qp
57.5 kB
o-G4W4.qp
57.6 kB
Bi2Te3
bi2te3_nosoc.bands.dat.gnu
423.6 kB
bi2te3_soc.bands.dat.gnu
847.3 kB
o-BSE_G0W0.alpha_q1_haydock_bse
269.9 kB
o-BSE_scGW.alpha_q1_haydock_bse
269.9 kB
o-G0W0.qp
52.9 kB
o-G3W3.qp
52.9 kB
S3
o-BSE_G0W0.alpha_q1_haydock_bse
269.9 kB
o-BSE_scGW.alpha_q1_haydock_bse
269.9 kB
o-G0W0.qp
52.9 kB
o-G3W3.qp
53.0 kB
s3_nosoc.bands.dat.gnu
113.8 kB
s3_soc.bands.dat.gnu
227.6 kB
Te3
o-BSE_G0W0.alpha_q1_haydock_bse
269.9 kB
o-BSE_scGW.alpha_q1_haydock_bse
269.9 kB
o-G0W0.qp
52.9 kB
o-G3W3.qp
52.9 kB
te3_nosoc.bands.dat.gnu
341.4 kB
te3_soc.bands.dat.gnu
682.9 kB
IR
As2S3
as2s3.dyn
14.9 kB
dynmat.axsf
5.7 kB
dynmat.in
46 Bytes
dynmat.mold
3.0 kB
dynmat.out
6.9 kB
dynmat.plot.dat
542 Bytes
forces.as2s3.xcrysden
35.5 kB
forces.as2s3_1x3.xcrysden
35.9 kB
ph.epsil.out
55.2 kB
ph.in
176 Bytes
ph.out
30.9 kB
scf.in
1.2 kB
scf.out
47.4 kB
Bi2Te3
dynmat.axsf
5.7 kB
dynmat.in
44 Bytes
dynmat.mold
3.0 kB
dynmat.out
6.9 kB
forces.bi2te3.xcrysden
35.7 kB
forces.bi2te3_1x3.xcrysden
39.4 kB
ph.epsil.out
59.2 kB
ph.in
177 Bytes
s3.dyn
14.9 kB
scf.in
1.2 kB
scf.out
36.3 kB
S3
dynmat.axsf
2.2 kB
dynmat.in
43 Bytes
dynmat.mold
1.3 kB
dynmat.out
2.9 kB
dynmat.plot.dat
326 Bytes
forces.s3.xcrysden
31.8 kB
forces.s3_1x3.xcrysden
35.4 kB
ph.epsil.out
35.7 kB
ph.in
173 Bytes
s3.dyn
6.6 kB
scf.in
1.0 kB
scf.out
30.3 kB
Te3
dynmat.axsf
2.2 kB
dynmat.in
44 Bytes
dynmat.mold
1.3 kB
dynmat.out
2.9 kB
dynmat.plot.dat
326 Bytes
forces.te3.xcrysden
31.8 kB
forces.te3_1x3.xcrysden
35.4 kB
forces.te3_mode5.png
246.3 kB
forces.te3_mode6.png
248.4 kB
forces.te3_mode7.png
255.0 kB
forces.te3_mode8.png
230.6 kB
forces.te3_mode8_1x3.png
255.2 kB
ph.epsil.out
34.7 kB
ph.in
170 Bytes
scf.in
1.0 kB
scf.out
26.2 kB
te3.dyn
6.6 kB
Phonons
as2s3
as2s3.dyn0
310 Bytes
as2s3.dyn1
16.2 kB
as2s3.dyn2
20.0 kB
as2s3.dyn3
20.0 kB
as2s3.dyn4
13.5 kB
matdyn.in
256 Bytes
matdyn.modes
698.3 kB
matdyn.out
3.2 kB
ph.in
185 Bytes
ph.out
198.0 kB
q2r.in
70 Bytes
q2r.out
2.6 kB
scf.in
1.2 kB
scf.out
47.4 kB
bi2te3
bi2te3.dyn0
456 Bytes
bi2te3.dyn1
16.2 kB
bi2te3.dyn2
20.0 kB
bi2te3.dyn3
20.0 kB
bi2te3.dyn4
20.0 kB
bi2te3.dyn5
20.0 kB
bi2te3.dyn6
13.5 kB
matdyn.in
259 Bytes
matdyn.modes
698.3 kB
matdyn.out
3.2 kB
ph.in
193 Bytes
ph.out
228.8 kB
q2r.in
72 Bytes
q2r.out
2.9 kB
scf.in
1.2 kB
scf.out
36.3 kB
s3
matdyn.crystal.out
2.9 kB
matdyn.in
247 Bytes
matdyn.modes
290.5 kB
matdyn.out
2.9 kB
ph.in
185 Bytes
ph.out
130.7 kB
q2r.crystal.out
2.6 kB
q2r.in
64 Bytes
q2r.out
2.6 kB
s3.dyn0
456 Bytes
s3.dyn1
7.4 kB
s3.dyn2
8.0 kB
s3.dyn3
8.0 kB
s3.dyn4
8.0 kB
s3.dyn5
8.0 kB
s3.dyn6
5.6 kB
scf.in
1.0 kB
scf.out
30.4 kB
te3
matdyn.in
250 Bytes
matdyn.modes
290.5 kB
matdyn.out
2.9 kB
ph.in
186 Bytes
ph.out
134.8 kB
q2r.in
66 Bytes
q2r.out
2.4 kB
scf.in
1.0 kB
scf.out
26.2 kB
te3.dyn0
310 Bytes
te3.dyn1
7.4 kB
te3.dyn2
8.0 kB
te3.dyn3
8.0 kB
te3.dyn4
5.6 kB
README.txt
980 Bytes
volume
As2S3
environ.in
115 Bytes
scf.environ.out
39.2 kB
scf.in
1.2 kB
Bi2Te3
environ.in
115 Bytes
scf.environ.out
32.3 kB
scf.in
1.2 kB
S3
environ.in
115 Bytes
scf.environ.out
27.1 kB
scf.in
1.0 kB
Te3
environ.in
115 Bytes
scf.environ.out
25.0 kB
scf.in
1.0 kB