data.zip
__MACOSX
data
._.DS_Store
120 Bytes
force_constants_phonon_dispersions
._.DS_Store
120 Bytes
CaP3
._.DS_Store
120 Bytes
MoS2
._.DS_Store
120 Bytes
._MoS2.fc
176 Bytes
graphene
._band_BH.dat
276 Bytes
silicon
._FORCE_CONSTANTS_TI
176 Bytes
pseudopotential
._.DS_Store
120 Bytes
structures
._CNT_scf.in
176 Bytes
._MoS2_scf.in
176 Bytes
._graphene_scf.in
176 Bytes
data
.DS_Store
10.2 kB
force_constants_phonon_dispersions
.DS_Store
10.2 kB
BNNT
BNNT_44.fc
1.5 MB
band_TI+BH+H.dat
198.1 kB
band_TI+BH.dat
198.1 kB
band_TI.dat
198.1 kB
CNT
FORCE_CONSTANTS_BH
3.9 MB
FORCE_CONSTANTS_BHH
3.9 MB
FORCE_CONSTANTS_H
3.9 MB
FORCE_CONSTANTS_TI
3.9 MB
band_TI+BH+H.dat
365.0 kB
band_TI+BH.dat
365.0 kB
band_TI+H.dat
365.0 kB
band_TI.dat
365.0 kB
CaP3
.DS_Store
6.1 kB
BORN
975 Bytes
FORCE_CONSTANTS_BH
979.0 kB
FORCE_CONSTANTS_BHH
979.0 kB
FORCE_CONSTANTS_TI
979.0 kB
band_BH.dat
157.1 kB
band_BHH.dat
157.0 kB
band_TI.dat
157.1 kB
MoS2
.DS_Store
6.1 kB
MoS2.fc
157.1 kB
MoS2.fc.PBH+PH
95.7 kB
MoS2_black.frq.gp
124.9 kB
MoS2_blue.frq.gp
124.9 kB
MoS2_green.frq.gp
124.9 kB
MoS2_red.frq.gp
124.9 kB
MoS2_yellow.frq.gp
124.9 kB
SI
MoS2_TI.frq.gp
124.9 kB
MoS2_TI_PBH.frq.gp
124.9 kB
MoS2_TI_PBH_PH.frq.gp
124.9 kB
MoS2_TI_PH.frq.gp
124.9 kB
graphene
FORCE_CONSTANTS_BH
1.2 MB
FORCE_CONSTANTS_BHH
1.2 MB
FORCE_CONSTANTS_H
1.2 MB
FORCE_CONSTANTS_TI
1.2 MB
band_BH.dat
45.4 kB
band_BHH.dat
45.4 kB
band_H.dat
45.4 kB
band_TI.dat
45.4 kB
silicon
FORCE_CONSTANTS_BH
3.9 MB
FORCE_CONSTANTS_BHH
3.9 MB
FORCE_CONSTANTS_TI
3.9 MB
band_BH.dat
22.9 kB
band_BHH.dat
22.9 kB
band_TI.dat
22.9 kB
pseudopotential
.DS_Store
6.1 kB
C.pbesol-n-kjpaw_psl.1.0.0.UPF
921.3 kB
Mo_ONCV_PBEsol-1.0.upf
275.7 kB
P.pbesol-n-rrkjus_psl.1.0.0.UPF
1.6 MB
Si.pbesol-n-rrkjus_psl.1.0.0.UPF
1.6 MB
ca_pbesol_v1.uspp.F.UPF
575.9 kB
s_pbesol_v1.4.uspp.F.UPF
583.0 kB
structures
CNT_scf.in
2.8 kB
CaP3_scf.in
1.2 kB
MoS2_scf.in
1.0 kB
Si_scf.in
815 Bytes
graphene_scf.in
1.0 kB