Data_non_vdW_heterostructures_RODARE_v2.zip
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Data_non_vdW_heterostructures_RODARE
.DS_Store
10.2 kB
Diamagnetic_diamagnetic
.DS_Store
14.3 kB
AgSbO3_KSbO3
.DS_Store
10.2 kB
AgSbO3_KSbO3_20_60_0.0609_PBE_U_ICSD
AgSbO3_KSbO3_20_60_0.0609_PBE_U_ICSD_D3
AgSbO3_KSbO3_20_60_0.0609_SCAN_rVV10
AgSbO3_NaSbO3
AgSbO3_NaSbO3_20_0_1.9209_PBE_U_ICSD
AgSbO3_NaSbO3_20_0_1.9209_PBE_U_ICSD_D3
AgSbO3_NaSbO3_20_0_1.9209_SCAN_rVV10
AgSbO3_SnZnO3
AgSbO3_SnZnO3_20_0_0.0392_PBE_U_ICSD
AgSbO3_SnZnO3_20_0_0.0392_PBE_U_ICSD_D3
AgSbO3_SnZnO3_20_0_0.0392_SCAN_rVV10
Al2O3_AsLiO3
Al2O3_AsLiO3_20_0_0.2892_PBE
CaSnO3_In2O3
CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD
CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD_D3
CaSnO3_In2O3_20_60_0.0747_SCAN_rVV10
CdGeO3_MgTiO3
CdGeO3_MgTiO3_20_60_0.5055_PBE_U_ICSD
CdGeO3_TiZnO3
CdGeO3_TiZnO3_20_0_0.9111_PBE_U_ICSD
CdTiO3_NaSbO3
CdTiO3_NaSbO3_20_60_1.1043_PBE_U_ICSD
CdTiO3_NaSbO3_20_60_1.1043_PBE_U_ICSD_D3
CdTiO3_NaSbO3_20_60_1.1043_SCAN_rVV10
CdTiO3_SbTlO3
CdTiO3_SbTlO3_20_0_0.3944_PBE_U_ICSD
CdTiO3_SbTlO3_20_0_0.3944_PBE_U_ICSD_D3
CdTiO3_SbTlO3_20_0_0.3944_SCAN_rVV10
CuVO3_Ga2O3
.DS_Store
6.1 kB
CuVO3_Ga2O3_20_60_1.1205_PBE_U_ICSD
CuVO3_GeMgO3
CuVO3_GeMgO3_20_60_0.6378_PBE_U_ICSD
Ga2O3_GeMgO3
Ga2O3_GeMgO3_20_60_1.7583_PBE_U_ICSD
Ga2O3_GeMgO3_20_60_1.7583_PBE_U_ICSD_D3
Ga2O3_GeMgO3_20_60_1.7583_SCAN_rVV10
Ga2O3_Rh2O3
.DS_Store
6.1 kB
Ga2O3_Rh2O3_20_60_0.9330_PBE_U_ICSD
GeMgO3_GeZnO3
GeMgO3_GeZnO3_20_0_1.4984_PBE_U_ICSD
KSbO3_NaSbO3
KSbO3_NaSbO3_20_0_1.9166_PBE
KSbO3_NaSbO3_20_0_1.9166_PBE_D3
KSbO3_NaSbO3_20_0_1.9166_SCAN_rVV10
KSbO3_SnZnO3
KSbO3_SnZnO3_20_0_0.0349_PBE_U_ICSD
KSbO3_SnZnO3_20_0_0.0349_PBE_U_ICSD_D3
KSbO3_SnZnO3_20_0_0.0349_SCAN_rVV10
MgSiO3_SiZnO3
MgSiO3_SiZnO3_20_60_1.4324_PBE_U_ICSD
MgSiO3_SiZnO3_20_60_1.4324_PBE_U_ICSD_D3
MgSiO3_SiZnO3_20_60_1.4324_SCAN_rVV10
MgTiO3_TiZnO3
MgTiO3_TiZnO3_20_0_1.4167_PBE_U_ICSD
NaSbO3_SbTlO3
NaSbO3_SbTlO3_20_0_0.7100_PBE
NaSbO3_SbTlO3_20_0_0.7100_PBE_D3
NaSbO3_SbTlO3_20_0_0.7100_SCAN_rVV10
NaSbO3_SnZnO3
.DS_Store
8.2 kB
NaSbO3_SnZnO3_20_60_1.8814_PBE_U_ICSD
NaSbO3_SnZnO3_20_60_1.8814_PBE_U_ICSD_D3
NaSbO3_SnZnO3_20_60_1.8814_SCAN_rVV10
Rh2O3_TiZnO3
Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD
Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD_D3
Rh2O3_TiZnO3_20_0_1.9943_SCAN_rVV10
Diamagnetic_magnetic
.DS_Store
14.3 kB
CdGeO3_CoTiO3
CdGeO3_CoTiO3_20_60_0.6842_PBE_U_ICSD
CdGeO3_Fe2O3
CdGeO3_Fe2O3_20_60_1.3027_PBE_U_ICSD
CdGeO3_FeTiO3
.DS_Store
6.1 kB
CdGeO3_FeTiO3_20_60_1.7809_PBE_U_ICSD
CdGeO3_NiTiO3
CdGeO3_NiTiO3_20_0_0.5349_PBE_U_ICSD
CoMnO3_CuVO3
.DS_Store
6.1 kB
CoMnO3_CuVO3_20_0_1.1461_PBE_U_ICSD
CoMnO3_GeMgO3
CoMnO3_GeMgO3_20_0_0.5082_PBE_U_ICSD
CoMnO3_GeZnO3
CoMnO3_GeZnO3_20_60_0.9900_PBE_U_ICSD
CoTiO3_MgTiO3
CoTiO3_MgTiO3_20_60_0.1787_PBE_U_ICSD
CoTiO3_TiZnO3
CoTiO3_TiZnO3_20_0_1.5954_PBE_U_ICSD
Cr2O3_CuVO3
.DS_Store
6.1 kB
Cr2O3_CuVO3_20_60_1.7243_PBE_U_ICSD
Cr2O3_Ga2O3
Cr2O3_Ga2O3_20_60_0.6038_PBE_U_ICSD
Cr2O3_Rh2O3
.DS_Store
6.1 kB
Cr2O3_Rh2O3_20_60_0.3292_PBE_U_ICSD
CuVO3_GeMnO3
CuVO3_GeMnO3_20_60_1.7581_PBE_U_ICSD
Fe2O3_MgTiO3
.DS_Store
14.3 kB
Fe2O3_MgTiO3_140_22_1.8084_PBE_U_ICSD
Fe2O3_MgTiO3_140_38_1.8084_PBE_U_ICSD
Fe2O3_MgTiO3_20_0_1.8084_PBE_U_ICSD
Fe2O3_MgTiO3_20_60_1.8082_PBE_U_ICSD
Fe2O3_MgTiO3_260_28_1.8084_PBE_U_ICSD
Fe2O3_MgTiO3_260_32_1.8084_PBE_U_ICSD
Fe2O3_Rh2O3
.DS_Store
8.2 kB
Fe2O3_Rh2O3_20_60_1.6023_PBE_U_ICSD
Fe2O3_TiZnO3
Fe2O3_TiZnO3_20_0_0.3917_PBE_U_ICSD
FeTiO3_MgTiO3
FeTiO3_MgTiO3_20_60_1.2754_PBE_U_ICSD
Ga2O3_GeMnO3
Ga2O3_GeMnO3_20_60_0.6376_PBE_U_ICSD
GeMgO3_MnNiO3
GeMgO3_MnNiO3_20_60_1.8491_PBE_U_ICSD
GeMnO3_Rh2O3
GeMnO3_Rh2O3_20_60_0.2953_PBE_U_ICSD
MgTiO3_NiTiO3
MgTiO3_NiTiO3_20_0_1.0405_PBE_U_ICSD
MnNiO3_GeZnO3
MnNiO3_GeZnO3_20_0_0.3510_PBE_U_ICSD
NiTiO3_TiZnO3
NiTiO3_TiZnO3_20_60_0.3762_PBE_U_ICSD
Magnetic_magnetic
.DS_Store
6.1 kB
CoMnO3_MnNiO3
CoMnO3_MnNiO3_20_0_1.3412_PBE_U_ICSD
CoTiO3_Fe2O3
CoTiO3_Fe2O3_20_60_1.9869_PBE_U_ICSD
BANDS_DOS
CHG.relax1.xz
34.4 MB
CHG.relax2.xz
12.1 MB
CHG.relax3.xz
11.3 MB
CHGCAR.relax1.xz
26.9 MB
CHGCAR.relax2.xz
28.1 MB
CHGCAR.relax3.xz
28.2 MB
CONTCAR.relax1.xz
620 Bytes
CONTCAR.relax2.xz
620 Bytes
CONTCAR.relax3.xz
632 Bytes
DOSCAR.relax1.xz
25.8 kB
DOSCAR.relax2.xz
25.8 kB
DOSCAR.relax3.xz
25.5 kB
EIGENVAL.relax1.xz
5.7 kB
EIGENVAL.relax2.xz
5.7 kB
EIGENVAL.relax3.xz
5.7 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
208 Bytes
INCAR.relax1.xz
1.3 kB
INCAR.relax2.xz
1.3 kB
INCAR.relax3.xz
1.3 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
57.7 kB
LOCK.3.2.14+2D_KPPRA
57.7 kB
OSZICAR.relax1.xz
7.1 kB
OSZICAR.relax2.xz
1.6 kB
OSZICAR.relax3.xz
1.5 kB
OUTCAR.relax1.xz
162.1 kB
OUTCAR.relax2.xz
37.0 kB
OUTCAR.relax3.xz
36.1 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.relax1.xz
660 Bytes
POSCAR.relax2.xz
620 Bytes
POSCAR.relax3.xz
620 Bytes
PROCAR.relax1.xz
104.5 kB
PROCAR.relax2.xz
104.8 kB
PROCAR.relax3.xz
104.5 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
2.9 kB
XDATCAR.relax2.xz
652 Bytes
XDATCAR.relax3.xz
652 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
224 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
816 Bytes
aflow.in
46.0 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.4 kB
vasp.out.relax1.xz
8.6 kB
vasp.out.relax2.xz
2.9 kB
vasp.out.relax3.xz
2.8 kB
vasprun.xml.relax1.xz
147.3 kB
vasprun.xml.relax2.xz
130.7 kB
vasprun.xml.relax3.xz
130.5 kB
CoTiO3_FeTiO3
CoTiO3_FeTiO3_20_60_1.0967_PBE_U_ICSD
CoTiO3_NiTiO3
CoTiO3_NiTiO3_20_0_1.2192_PBE_U_ICSD
BANDS_DOS
CHG.relax1.xz
76.3 MB
CHGCAR.relax1.xz
29.4 MB
CONTCAR.relax1.xz
628 Bytes
DOSCAR.relax1.xz
23.7 kB
EIGENVAL.relax1.xz
6.4 kB
IBZKPT.relax1.xz
156 Bytes
INCAR.orig.xz
208 Bytes
INCAR.relax1.xz
1.2 kB
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
66.0 kB
OSZICAR.relax1.xz
20.5 kB
OUTCAR.relax2.xz
274.4 kB
OUTCAR.relax3.xz
215.3 kB
PCDAT.relax1.xz
184 Bytes
POSCAR.relax2.xz
628 Bytes
POSCAR.relax3.xz
624 Bytes
PROCAR.relax2.xz
113.3 kB
PROCAR.relax3.xz
113.7 kB
XDATCAR.relax2.xz
4.6 kB
XDATCAR.relax3.xz
3.5 kB
aflow.agroup.out.xz
1.1 kB
aflow.end.out
273 Bytes
aflow.iatoms.out.xz
796 Bytes
vasp.out.relax2.xz
13.6 kB
vasp.out.relax3.xz
10.9 kB
vasprun.xml.relax1.xz
196.4 kB
Cr2O3_Fe2O3
.DS_Store
6.1 kB
Cr2O3_Fe2O3_20_60_1.9315_PBE_U_ICSD
.DS_Store
14.3 kB
BANDS_DOS
CHG.relax1.xz
23.4 MB
CHG.relax2.xz
11.8 MB
CHG.relax3.xz
11.5 MB
CHGCAR.relax1.xz
29.8 MB
CHGCAR.relax2.xz
29.7 MB
CHGCAR.relax3.xz
29.5 MB
CONTCAR.relax1.xz
616 Bytes
CONTCAR.relax2.xz
612 Bytes
CONTCAR.relax3.xz
612 Bytes
DOSCAR.relax1.xz
25.3 kB
DOSCAR.relax2.xz
25.3 kB
DOSCAR.relax3.xz
25.4 kB
EIGENVAL.relax1.xz
5.2 kB
EIGENVAL.relax2.xz
5.2 kB
EIGENVAL.relax3.xz
5.2 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
208 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
57.4 kB
LOCK.3.2.14+2D_KPPRA
57.4 kB
OSZICAR.relax1.xz
4.3 kB
OSZICAR.relax2.xz
2.0 kB
OSZICAR.relax3.xz
1.2 kB
OUTCAR.relax1.xz
95.1 kB
OUTCAR.relax2.xz
50.6 kB
OUTCAR.relax3.xz
30.9 kB
PCDAT.relax1.xz
180 Bytes
PCDAT.relax2.xz
180 Bytes
PCDAT.relax3.xz
180 Bytes
POSCAR.orig.xz
572 Bytes
POSCAR.relax1.xz
648 Bytes
POSCAR.relax2.xz
616 Bytes
POSCAR.relax3.xz
612 Bytes
PROCAR.relax1.xz
91.6 kB
PROCAR.relax2.xz
91.3 kB
PROCAR.relax3.xz
91.7 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
1.9 kB
XDATCAR.relax2.xz
1.1 kB
XDATCAR.relax3.xz
648 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
224 Bytes
aflow.fgroup.out.xz
828 Bytes
aflow.iatoms.out.xz
796 Bytes
aflow.in
39.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
172 Bytes
aflow.qmvasp.out.xz
2.4 kB
density_diff
vasp.out.relax1.xz
5.5 kB
vasp.out.relax2.xz
3.1 kB
vasp.out.relax3.xz
2.1 kB
vasprun.xml.relax1.xz
126.0 kB
vasprun.xml.relax2.xz
119.6 kB
vasprun.xml.relax3.xz
117.7 kB
Cr2O3_GeMnO3
Cr2O3_GeMnO3_20_60_0.0609_PBE_U_ICSD
BANDS_DOS
CHG.relax1.xz
12.7 MB
CHG.relax2.xz
12.7 MB
CHG.relax3.xz
12.7 MB
CHGCAR.relax1.xz
31.6 MB
CHGCAR.relax2.xz
31.4 MB
CHGCAR.relax3.xz
31.4 MB
CONTCAR.relax1.xz
612 Bytes
CONTCAR.relax2.xz
616 Bytes
CONTCAR.relax3.xz
616 Bytes
DOSCAR.relax1.xz
30.8 kB
DOSCAR.relax2.xz
30.7 kB
DOSCAR.relax3.xz
31.0 kB
EIGENVAL.relax1.xz
6.3 kB
EIGENVAL.relax2.xz
6.2 kB
EIGENVAL.relax3.xz
6.3 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
208 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
63.4 kB
LOCK.3.2.14+2D_KPPRA
63.4 kB
OSZICAR.relax1.xz
1.2 kB
OSZICAR.relax2.xz
1.1 kB
OSZICAR.relax3.xz
1.2 kB
OUTCAR.relax1.xz
33.5 kB
OUTCAR.relax2.xz
33.3 kB
OUTCAR.relax3.xz
33.5 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.relax1.xz
652 Bytes
POSCAR.relax2.xz
612 Bytes
POSCAR.relax3.xz
616 Bytes
PROCAR.relax1.xz
111.0 kB
PROCAR.relax2.xz
110.8 kB
PROCAR.relax3.xz
110.5 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
636 Bytes
XDATCAR.relax2.xz
620 Bytes
XDATCAR.relax3.xz
644 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
258 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
800 Bytes
aflow.in
32.9 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
192 Bytes
aflow.qmvasp.out.xz
2.2 kB
vasp.out.relax1.xz
2.1 kB
vasp.out.relax2.xz
2.1 kB
vasp.out.relax3.xz
2.1 kB
vasprun.xml.relax1.xz
140.6 kB
vasprun.xml.relax2.xz
140.2 kB
vasprun.xml.relax3.xz
140.9 kB
Fe2O3_GeMnO3
Fe2O3_GeMnO3_20_60_1.8977_PBE_U_ICSD
Fe2O3_NiTiO3
Fe2O3_NiTiO3_20_0_0.7679_PBE_U_ICSD
FeTiO3_MnTiO3
FeTiO3_MnTiO3_20_0_1.0923_PBE_U_ICSD
BANDS_DOS
CHG.relax1.xz
80.1 MB
CHG.relax2.xz
38.5 MB
CHG.relax3.xz
14.4 MB
CHGCAR.relax1.xz
31.3 MB
CHGCAR.relax2.xz
28.8 MB
CHGCAR.relax3.xz
31.5 MB
CONTCAR.relax1.xz
616 Bytes
CONTCAR.relax2.xz
620 Bytes
CONTCAR.relax3.xz
620 Bytes
DOSCAR.relax1.xz
27.4 kB
DOSCAR.relax2.xz
27.7 kB
DOSCAR.relax3.xz
27.8 kB
EIGENVAL.relax1.xz
6.2 kB
EIGENVAL.relax2.xz
6.2 kB
EIGENVAL.relax3.xz
6.1 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
160 Bytes
IBZKPT.relax3.xz
160 Bytes
INCAR.orig.xz
212 Bytes
INCAR.relax1.xz
1.3 kB
INCAR.relax2.xz
1.3 kB
INCAR.relax3.xz
1.3 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
72.3 kB
LOCK.3.2.14+2D_KPPRA
72.3 kB
OSZICAR.relax1.xz
21.6 kB
OSZICAR.relax2.xz
8.0 kB
OSZICAR.relax3.xz
2.1 kB
OUTCAR.relax1.xz
479.5 kB
OUTCAR.relax2.xz
214.1 kB
OUTCAR.relax3.xz
50.7 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
180 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
600 Bytes
POSCAR.relax1.xz
628 Bytes
POSCAR.relax2.xz
616 Bytes
POSCAR.relax3.xz
620 Bytes
PROCAR.relax1.xz
111.0 kB
PROCAR.relax2.xz
111.3 kB
PROCAR.relax3.xz
111.7 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
7.5 kB
XDATCAR.relax2.xz
3.9 kB
XDATCAR.relax3.xz
924 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
285 Bytes
aflow.error.out.xz
328 Bytes
aflow.error.rmm_diis.xz
25.7 kB
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
792 Bytes
aflow.in
26.7 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.4 kB
vasp.out.relax1.xz
24.3 kB
vasp.out.relax2.xz
10.2 kB
vasp.out.relax3.xz
3.5 kB
vasprun.xml.relax1.xz
194.7 kB
vasprun.xml.relax2.xz
160.2 kB
vasprun.xml.relax3.xz
139.3 kB
README
4.8 kB
Supplementary
.DS_Store
10.2 kB
HSE06
.DS_Store
6.1 kB
BANDS_DOS
SCF_Only
Reference
.DS_Store
6.1 kB
Graphene_Graphene
Shifted_Fe2O3_MgTiO3
.DS_Store
6.1 kB
Shift_0_0
Shift_0_1
Shift_0_2
Shift_0_3
Shift_0_4
Shift_0_5
Shift_0_6
Shift_0_7
Shift_0_8
Shift_1_0
Shift_1_1
Shift_1_2
Shift_1_3
Shift_1_4
Shift_1_5
Shift_1_6
Shift_1_7
Shift_1_8
Shift_2_0
Shift_2_1
Shift_2_2
Shift_2_3
Shift_2_4
Shift_2_5
Shift_2_6
Shift_2_7
Shift_2_8
Shift_3_0
Shift_3_1
Shift_3_2
Shift_3_3
Shift_3_4
Shift_3_5
Shift_3_6
Shift_3_7
Shift_3_8
Shift_4_0
Shift_4_1
Shift_4_2
Shift_4_3
Shift_4_4
Shift_4_5
Shift_4_6
Shift_4_7
Shift_4_8
Shift_5_0
Shift_5_1
Shift_5_2
Shift_5_3
Shift_5_4
Shift_5_5
Shift_5_6
Shift_5_7
Shift_5_8
Shift_6_0
Shift_6_1
Shift_6_2
Shift_6_3
Shift_6_4
Shift_6_5
Shift_6_6
Shift_6_7
Shift_6_8
Shift_7_0
Shift_7_1
Shift_7_2
Shift_7_3
Shift_7_4
Shift_7_5
Shift_7_6
Shift_7_7
Shift_7_8
Shift_8_0
Shift_8_1
Shift_8_2
Shift_8_3
Shift_8_4
Shift_8_5
Shift_8_6
Shift_8_7
Shift_8_8
Strain_Effect
.DS_Store
10.2 kB
Cr2O3_Fe2O3
Cr2O3_Rh2O3
Ga2O3_Rh2O3
Rh2O3_TiZnO3_D3
__MACOSX
._Data_non_vdW_heterostructures_RODARE
213 Bytes
Data_non_vdW_heterostructures_RODARE
._.DS_Store
120 Bytes
._Diamagnetic_diamagnetic
213 Bytes
._Diamagnetic_magnetic
213 Bytes
._Magnetic_magnetic
213 Bytes
._README
506 Bytes
Diamagnetic_diamagnetic
._.DS_Store
120 Bytes
._AgSbO3_KSbO3
213 Bytes
._AgSbO3_NaSbO3
213 Bytes
._AgSbO3_SnZnO3
213 Bytes
._Al2O3_AsLiO3
213 Bytes
._CaSnO3_In2O3
213 Bytes
._CdGeO3_MgTiO3
213 Bytes
._CdGeO3_TiZnO3
213 Bytes
._CdTiO3_NaSbO3
213 Bytes
._CdTiO3_SbTlO3
213 Bytes
._CuVO3_Ga2O3
213 Bytes
._CuVO3_GeMgO3
213 Bytes
._Ga2O3_GeMgO3
213 Bytes
._Ga2O3_Rh2O3
213 Bytes
._GeMgO3_GeZnO3
213 Bytes
._KSbO3_NaSbO3
213 Bytes
._KSbO3_SnZnO3
213 Bytes
._MgSiO3_SiZnO3
213 Bytes
._MgTiO3_TiZnO3
213 Bytes
._NaSbO3_SbTlO3
213 Bytes
._NaSbO3_SnZnO3
213 Bytes
._Rh2O3_TiZnO3
213 Bytes
AgSbO3_KSbO3
._.DS_Store
120 Bytes
._AgSbO3_KSbO3_20_60_0.0609_PBE_U_ICSD
213 Bytes
._AgSbO3_KSbO3_20_60_0.0609_PBE_U_ICSD_D3
213 Bytes
._AgSbO3_KSbO3_20_60_0.0609_SCAN_rVV10
213 Bytes
AgSbO3_NaSbO3
._AgSbO3_NaSbO3_20_0_1.9209_PBE_U_ICSD
213 Bytes
._AgSbO3_NaSbO3_20_0_1.9209_PBE_U_ICSD_D3
213 Bytes
._AgSbO3_NaSbO3_20_0_1.9209_SCAN_rVV10
213 Bytes
AgSbO3_SnZnO3
._AgSbO3_SnZnO3_20_0_0.0392_PBE_U_ICSD
213 Bytes
._AgSbO3_SnZnO3_20_0_0.0392_PBE_U_ICSD_D3
213 Bytes
._AgSbO3_SnZnO3_20_0_0.0392_SCAN_rVV10
213 Bytes
Al2O3_AsLiO3
._Al2O3_AsLiO3_20_0_0.2892_PBE
213 Bytes
CaSnO3_In2O3
._CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD
213 Bytes
._CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD_D3
213 Bytes
._CaSnO3_In2O3_20_60_0.0747_SCAN_rVV10
213 Bytes
CdGeO3_MgTiO3
._CdGeO3_MgTiO3_20_60_0.5055_PBE_U_ICSD
213 Bytes
CdGeO3_TiZnO3
._CdGeO3_TiZnO3_20_0_0.9111_PBE_U_ICSD
213 Bytes
CdTiO3_NaSbO3
._CdTiO3_NaSbO3_20_60_1.1043_PBE_U_ICSD
213 Bytes
._CdTiO3_NaSbO3_20_60_1.1043_PBE_U_ICSD_D3
213 Bytes
._CdTiO3_NaSbO3_20_60_1.1043_SCAN_rVV10
213 Bytes
CdTiO3_SbTlO3
._CdTiO3_SbTlO3_20_0_0.3944_PBE_U_ICSD
213 Bytes
._CdTiO3_SbTlO3_20_0_0.3944_PBE_U_ICSD_D3
213 Bytes
._CdTiO3_SbTlO3_20_0_0.3944_SCAN_rVV10
213 Bytes
CuVO3_Ga2O3
._.DS_Store
120 Bytes
._CuVO3_Ga2O3_20_60_1.1205_PBE_U_ICSD
213 Bytes
CuVO3_GeMgO3
._CuVO3_GeMgO3_20_60_0.6378_PBE_U_ICSD
213 Bytes
Ga2O3_GeMgO3
._Ga2O3_GeMgO3_20_60_1.7583_PBE_U_ICSD
213 Bytes
._Ga2O3_GeMgO3_20_60_1.7583_PBE_U_ICSD_D3
213 Bytes
._Ga2O3_GeMgO3_20_60_1.7583_SCAN_rVV10
213 Bytes
Ga2O3_Rh2O3
._.DS_Store
120 Bytes
._Ga2O3_Rh2O3_20_60_0.9330_PBE_U_ICSD
213 Bytes
GeMgO3_GeZnO3
._GeMgO3_GeZnO3_20_0_1.4984_PBE_U_ICSD
213 Bytes
KSbO3_NaSbO3
._KSbO3_NaSbO3_20_0_1.9166_PBE
213 Bytes
._KSbO3_NaSbO3_20_0_1.9166_PBE_D3
213 Bytes
._KSbO3_NaSbO3_20_0_1.9166_SCAN_rVV10
213 Bytes
KSbO3_SnZnO3
._KSbO3_SnZnO3_20_0_0.0349_PBE_U_ICSD
213 Bytes
._KSbO3_SnZnO3_20_0_0.0349_PBE_U_ICSD_D3
213 Bytes
._KSbO3_SnZnO3_20_0_0.0349_SCAN_rVV10
213 Bytes
MgSiO3_SiZnO3
._MgSiO3_SiZnO3_20_60_1.4324_PBE_U_ICSD
213 Bytes
._MgSiO3_SiZnO3_20_60_1.4324_PBE_U_ICSD_D3
213 Bytes
._MgSiO3_SiZnO3_20_60_1.4324_SCAN_rVV10
213 Bytes
MgTiO3_TiZnO3
._MgTiO3_TiZnO3_20_0_1.4167_PBE_U_ICSD
213 Bytes
NaSbO3_SbTlO3
._NaSbO3_SbTlO3_20_0_0.7100_PBE
213 Bytes
._NaSbO3_SbTlO3_20_0_0.7100_PBE_D3
213 Bytes
._NaSbO3_SbTlO3_20_0_0.7100_SCAN_rVV10
213 Bytes
NaSbO3_SnZnO3
._.DS_Store
120 Bytes
._NaSbO3_SnZnO3_20_60_1.8814_PBE_U_ICSD
213 Bytes
._NaSbO3_SnZnO3_20_60_1.8814_PBE_U_ICSD_D3
213 Bytes
._NaSbO3_SnZnO3_20_60_1.8814_SCAN_rVV10
213 Bytes
Rh2O3_TiZnO3
._Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD
213 Bytes
._Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD_D3
213 Bytes
._Rh2O3_TiZnO3_20_0_1.9943_SCAN_rVV10
213 Bytes
Diamagnetic_magnetic
._.DS_Store
120 Bytes
._CdGeO3_CoTiO3
213 Bytes
._CdGeO3_Fe2O3
213 Bytes
._CdGeO3_FeTiO3
213 Bytes
._CdGeO3_NiTiO3
213 Bytes
._CoMnO3_CuVO3
213 Bytes
._CoMnO3_GeMgO3
213 Bytes
._CoMnO3_GeZnO3
213 Bytes
._CoTiO3_MgTiO3
213 Bytes
._CoTiO3_TiZnO3
213 Bytes
._Cr2O3_CuVO3
213 Bytes
._Cr2O3_Ga2O3
213 Bytes
._Cr2O3_Rh2O3
213 Bytes
._CuVO3_GeMnO3
213 Bytes
._Fe2O3_MgTiO3
213 Bytes
._Fe2O3_Rh2O3
213 Bytes
._Fe2O3_TiZnO3
213 Bytes
._FeTiO3_MgTiO3
213 Bytes
._Ga2O3_GeMnO3
213 Bytes
._GeMgO3_MnNiO3
213 Bytes
._GeMnO3_Rh2O3
213 Bytes
._MgTiO3_NiTiO3
213 Bytes
._MnNiO3_GeZnO3
213 Bytes
._NiTiO3_TiZnO3
213 Bytes
CdGeO3_CoTiO3
._CdGeO3_CoTiO3_20_60_0.6842_PBE_U_ICSD
213 Bytes
CdGeO3_Fe2O3
._CdGeO3_Fe2O3_20_60_1.3027_PBE_U_ICSD
213 Bytes
CdGeO3_FeTiO3
._.DS_Store
120 Bytes
._CdGeO3_FeTiO3_20_60_1.7809_PBE_U_ICSD
213 Bytes
CdGeO3_NiTiO3
._CdGeO3_NiTiO3_20_0_0.5349_PBE_U_ICSD
213 Bytes
CoMnO3_CuVO3
._.DS_Store
120 Bytes
._CoMnO3_CuVO3_20_0_1.1461_PBE_U_ICSD
213 Bytes
CoMnO3_GeMgO3
._CoMnO3_GeMgO3_20_0_0.5082_PBE_U_ICSD
213 Bytes
CoMnO3_GeZnO3
._CoMnO3_GeZnO3_20_60_0.9900_PBE_U_ICSD
213 Bytes
CoTiO3_MgTiO3
._CoTiO3_MgTiO3_20_60_0.1787_PBE_U_ICSD
213 Bytes
CoTiO3_TiZnO3
._CoTiO3_TiZnO3_20_0_1.5954_PBE_U_ICSD
213 Bytes
Cr2O3_CuVO3
._.DS_Store
120 Bytes
._Cr2O3_CuVO3_20_60_1.7243_PBE_U_ICSD
213 Bytes
Cr2O3_Ga2O3
._Cr2O3_Ga2O3_20_60_0.6038_PBE_U_ICSD
213 Bytes
Cr2O3_Rh2O3
._.DS_Store
120 Bytes
._Cr2O3_Rh2O3_20_60_0.3292_PBE_U_ICSD
213 Bytes
CuVO3_GeMnO3
._CuVO3_GeMnO3_20_60_1.7581_PBE_U_ICSD
213 Bytes
Fe2O3_MgTiO3
._.DS_Store
120 Bytes
._Fe2O3_MgTiO3_140_22_1.8084_PBE_U_ICSD
213 Bytes
._Fe2O3_MgTiO3_140_38_1.8084_PBE_U_ICSD
213 Bytes
._Fe2O3_MgTiO3_20_0_1.8084_PBE_U_ICSD
213 Bytes
._Fe2O3_MgTiO3_20_60_1.8082_PBE_U_ICSD
213 Bytes
._Fe2O3_MgTiO3_260_28_1.8084_PBE_U_ICSD
213 Bytes
._Fe2O3_MgTiO3_260_32_1.8084_PBE_U_ICSD
213 Bytes
Fe2O3_Rh2O3
._.DS_Store
120 Bytes
._Fe2O3_Rh2O3_20_60_1.6023_PBE_U_ICSD
213 Bytes
Fe2O3_TiZnO3
._Fe2O3_TiZnO3_20_0_0.3917_PBE_U_ICSD
213 Bytes
FeTiO3_MgTiO3
._FeTiO3_MgTiO3_20_60_1.2754_PBE_U_ICSD
213 Bytes
Ga2O3_GeMnO3
._Ga2O3_GeMnO3_20_60_0.6376_PBE_U_ICSD
213 Bytes
GeMgO3_MnNiO3
._GeMgO3_MnNiO3_20_60_1.8491_PBE_U_ICSD
213 Bytes
GeMnO3_Rh2O3
._GeMnO3_Rh2O3_20_60_0.2953_PBE_U_ICSD
213 Bytes
MgTiO3_NiTiO3
._MgTiO3_NiTiO3_20_0_1.0405_PBE_U_ICSD
213 Bytes
MnNiO3_GeZnO3
._MnNiO3_GeZnO3_20_0_0.3510_PBE_U_ICSD
213 Bytes
NiTiO3_TiZnO3
._NiTiO3_TiZnO3_20_60_0.3762_PBE_U_ICSD
213 Bytes
Magnetic_magnetic
._.DS_Store
120 Bytes
._CoMnO3_MnNiO3
213 Bytes
._CoTiO3_Fe2O3
213 Bytes
._CoTiO3_FeTiO3
213 Bytes
._CoTiO3_NiTiO3
213 Bytes
._Cr2O3_Fe2O3
213 Bytes
._Cr2O3_GeMnO3
213 Bytes
._Fe2O3_GeMnO3
213 Bytes
._Fe2O3_NiTiO3
213 Bytes
._FeTiO3_MnTiO3
213 Bytes
CoMnO3_MnNiO3
._CoMnO3_MnNiO3_20_0_1.3412_PBE_U_ICSD
213 Bytes
CoTiO3_Fe2O3
._CoTiO3_Fe2O3_20_60_1.9869_PBE_U_ICSD
213 Bytes
CoTiO3_Fe2O3_20_60_1.9869_PBE_U_ICSD
._BANDS_DOS
213 Bytes
._CHG.relax1.xz
213 Bytes
._CHG.relax2.xz
213 Bytes
._CHG.relax3.xz
213 Bytes
._CHGCAR.relax1.xz
213 Bytes
._CHGCAR.relax2.xz
213 Bytes
._CHGCAR.relax3.xz
213 Bytes
._CONTCAR.relax1.xz
213 Bytes
._CONTCAR.relax2.xz
213 Bytes
._CONTCAR.relax3.xz
213 Bytes
._DOSCAR.relax1.xz
213 Bytes
._DOSCAR.relax2.xz
213 Bytes
._DOSCAR.relax3.xz
213 Bytes
._EIGENVAL.relax1.xz
213 Bytes
._EIGENVAL.relax2.xz
213 Bytes
._EIGENVAL.relax3.xz
213 Bytes
._IBZKPT.relax1.xz
213 Bytes
._IBZKPT.relax2.xz
213 Bytes
._IBZKPT.relax3.xz
213 Bytes
._INCAR.orig.xz
213 Bytes
._INCAR.relax1.xz
213 Bytes
._INCAR.relax2.xz
213 Bytes
._INCAR.relax3.xz
213 Bytes
._KPOINTS.relax1.xz
213 Bytes
._KPOINTS.relax2.xz
213 Bytes
._KPOINTS.relax3.xz
213 Bytes
._LOCK
213 Bytes
._LOCK.3.2.14+2D_KPPRA
213 Bytes
._OSZICAR.relax1.xz
213 Bytes
._OSZICAR.relax2.xz
213 Bytes
._OSZICAR.relax3.xz
213 Bytes
._OUTCAR.relax1.xz
213 Bytes
._OUTCAR.relax2.xz
213 Bytes
._OUTCAR.relax3.xz
213 Bytes
._PCDAT.relax1.xz
213 Bytes
._PCDAT.relax2.xz
213 Bytes
._PCDAT.relax3.xz
213 Bytes
._POSCAR.orig.xz
213 Bytes
._POSCAR.relax1.xz
213 Bytes
._POSCAR.relax2.xz
213 Bytes
._POSCAR.relax3.xz
213 Bytes
._PROCAR.relax1.xz
213 Bytes
._PROCAR.relax2.xz
213 Bytes
._PROCAR.relax3.xz
213 Bytes
._REPORT.xz
213 Bytes
._XDATCAR.relax1.xz
213 Bytes
._XDATCAR.relax2.xz
213 Bytes
._XDATCAR.relax3.xz
213 Bytes
._aflow.agroup.out.xz
213 Bytes
._aflow.end.out
213 Bytes
._aflow.fgroup.out.xz
213 Bytes
._aflow.iatoms.out.xz
213 Bytes
._aflow.in
213 Bytes
._aflow.pgroup.out.xz
213 Bytes
._aflow.pgroup_xtal.out.xz
213 Bytes
._aflow.pgroupk_Patterson.out.xz
213 Bytes
._aflow.pgroupk_xtal.out.xz
213 Bytes
._aflow.pseudopotential_auid.out.xz
213 Bytes
._aflow.qmvasp.out.xz
213 Bytes
._vasp.out.relax1.xz
213 Bytes
._vasp.out.relax2.xz
213 Bytes
._vasp.out.relax3.xz
213 Bytes
._vasprun.xml.relax1.xz
213 Bytes
._vasprun.xml.relax2.xz
213 Bytes
._vasprun.xml.relax3.xz
213 Bytes
CoTiO3_FeTiO3
._CoTiO3_FeTiO3_20_60_1.0967_PBE_U_ICSD
213 Bytes
CoTiO3_NiTiO3
._CoTiO3_NiTiO3_20_0_1.2192_PBE_U_ICSD
213 Bytes
CoTiO3_NiTiO3_20_0_1.2192_PBE_U_ICSD
._BANDS_DOS
213 Bytes
._CHG.relax1.xz
213 Bytes
._CHGCAR.relax1.xz
213 Bytes
._CONTCAR.relax1.xz
213 Bytes
._DOSCAR.relax1.xz
213 Bytes
._EIGENVAL.relax1.xz
213 Bytes
._IBZKPT.relax1.xz
213 Bytes
._INCAR.orig.xz
213 Bytes
._INCAR.relax1.xz
213 Bytes
._KPOINTS.relax2.xz
213 Bytes
._KPOINTS.relax3.xz
213 Bytes
._LOCK
213 Bytes
._OSZICAR.relax1.xz
213 Bytes
._OUTCAR.relax2.xz
213 Bytes
._OUTCAR.relax3.xz
213 Bytes
._PCDAT.relax1.xz
213 Bytes
._POSCAR.relax3.xz
213 Bytes
._PROCAR.relax2.xz
213 Bytes
._PROCAR.relax3.xz
213 Bytes
._XDATCAR.relax2.xz
213 Bytes
._XDATCAR.relax3.xz
213 Bytes
._aflow.agroup.out.xz
213 Bytes
._aflow.end.out
213 Bytes
._aflow.iatoms.out.xz
213 Bytes
._vasp.out.relax2.xz
213 Bytes
._vasp.out.relax3.xz
213 Bytes
._vasprun.xml.relax1.xz
213 Bytes
Cr2O3_Fe2O3
._.DS_Store
120 Bytes
._Cr2O3_Fe2O3_20_60_1.9315_PBE_U_ICSD
213 Bytes
Cr2O3_Fe2O3_20_60_1.9315_PBE_U_ICSD
._.DS_Store
120 Bytes
._BANDS_DOS
213 Bytes
._CHG.relax1.xz
213 Bytes
._CHG.relax2.xz
213 Bytes
._CHG.relax3.xz
213 Bytes
._CHGCAR.relax1.xz
213 Bytes
._CHGCAR.relax2.xz
213 Bytes
._CHGCAR.relax3.xz
213 Bytes
._CONTCAR.relax1.xz
213 Bytes
._CONTCAR.relax2.xz
213 Bytes
._CONTCAR.relax3.xz
213 Bytes
._DOSCAR.relax1.xz
213 Bytes
._DOSCAR.relax2.xz
213 Bytes
._DOSCAR.relax3.xz
213 Bytes
._EIGENVAL.relax1.xz
213 Bytes
._EIGENVAL.relax2.xz
213 Bytes
._EIGENVAL.relax3.xz
213 Bytes
._IBZKPT.relax1.xz
213 Bytes
._IBZKPT.relax2.xz
213 Bytes
._IBZKPT.relax3.xz
213 Bytes
._INCAR.orig.xz
213 Bytes
._INCAR.relax1.xz
213 Bytes
._INCAR.relax2.xz
213 Bytes
._INCAR.relax3.xz
213 Bytes
._KPOINTS.relax1.xz
213 Bytes
._KPOINTS.relax2.xz
213 Bytes
._KPOINTS.relax3.xz
213 Bytes
._LOCK
213 Bytes
._LOCK.3.2.14+2D_KPPRA
213 Bytes
._OSZICAR.relax1.xz
213 Bytes
._OSZICAR.relax2.xz
213 Bytes
._OSZICAR.relax3.xz
213 Bytes
._OUTCAR.relax1.xz
213 Bytes
._OUTCAR.relax2.xz
213 Bytes
._OUTCAR.relax3.xz
213 Bytes
._PCDAT.relax1.xz
213 Bytes
._PCDAT.relax2.xz
213 Bytes
._PCDAT.relax3.xz
213 Bytes
._POSCAR.orig.xz
213 Bytes
._POSCAR.relax1.xz
213 Bytes
._POSCAR.relax2.xz
213 Bytes
._POSCAR.relax3.xz
213 Bytes
._PROCAR.relax1.xz
213 Bytes
._PROCAR.relax2.xz
213 Bytes
._PROCAR.relax3.xz
213 Bytes
._REPORT.xz
213 Bytes
._XDATCAR.relax1.xz
213 Bytes
._XDATCAR.relax2.xz
213 Bytes
._XDATCAR.relax3.xz
213 Bytes
._aflow.agroup.out.xz
213 Bytes
._aflow.end.out
213 Bytes
._aflow.fgroup.out.xz
213 Bytes
._aflow.iatoms.out.xz
213 Bytes
._aflow.in
213 Bytes
._aflow.pgroup.out.xz
213 Bytes
._aflow.pgroup_xtal.out.xz
213 Bytes
._aflow.pgroupk_Patterson.out.xz
213 Bytes
._aflow.pgroupk_xtal.out.xz
213 Bytes
._aflow.pseudopotential_auid.out.xz
213 Bytes
._aflow.qmvasp.out.xz
213 Bytes
._density_diff
213 Bytes
._vasp.out.relax1.xz
213 Bytes
._vasp.out.relax2.xz
213 Bytes
._vasp.out.relax3.xz
213 Bytes
._vasprun.xml.relax1.xz
213 Bytes
._vasprun.xml.relax2.xz
213 Bytes
._vasprun.xml.relax3.xz
213 Bytes
Cr2O3_GeMnO3
._Cr2O3_GeMnO3_20_60_0.0609_PBE_U_ICSD
213 Bytes
Cr2O3_GeMnO3_20_60_0.0609_PBE_U_ICSD
._BANDS_DOS
213 Bytes
._CHG.relax1.xz
213 Bytes
._CHG.relax2.xz
213 Bytes
._CHG.relax3.xz
213 Bytes
._CHGCAR.relax1.xz
213 Bytes
._CHGCAR.relax2.xz
213 Bytes
._CHGCAR.relax3.xz
213 Bytes
._CONTCAR.relax1.xz
213 Bytes
._CONTCAR.relax2.xz
213 Bytes
._CONTCAR.relax3.xz
213 Bytes
._DOSCAR.relax1.xz
213 Bytes
._DOSCAR.relax2.xz
213 Bytes
._DOSCAR.relax3.xz
213 Bytes
._EIGENVAL.relax1.xz
213 Bytes
._EIGENVAL.relax2.xz
213 Bytes
._EIGENVAL.relax3.xz
213 Bytes
._IBZKPT.relax1.xz
213 Bytes
._IBZKPT.relax2.xz
213 Bytes
._IBZKPT.relax3.xz
213 Bytes
._INCAR.orig.xz
213 Bytes
._INCAR.relax1.xz
213 Bytes
._INCAR.relax2.xz
213 Bytes
._INCAR.relax3.xz
213 Bytes
._KPOINTS.relax1.xz
213 Bytes
._KPOINTS.relax2.xz
213 Bytes
._KPOINTS.relax3.xz
213 Bytes
._LOCK
213 Bytes
._LOCK.3.2.14+2D_KPPRA
213 Bytes
._OSZICAR.relax1.xz
213 Bytes
._OSZICAR.relax2.xz
213 Bytes
._OSZICAR.relax3.xz
213 Bytes
._OUTCAR.relax1.xz
213 Bytes
._OUTCAR.relax2.xz
213 Bytes
._OUTCAR.relax3.xz
213 Bytes
._PCDAT.relax1.xz
213 Bytes
._PCDAT.relax2.xz
213 Bytes
._PCDAT.relax3.xz
213 Bytes
._POSCAR.orig.xz
213 Bytes
._POSCAR.relax1.xz
213 Bytes
._POSCAR.relax2.xz
213 Bytes
._POSCAR.relax3.xz
213 Bytes
._PROCAR.relax1.xz
213 Bytes
._PROCAR.relax2.xz
213 Bytes
._PROCAR.relax3.xz
213 Bytes
._REPORT.xz
213 Bytes
._XDATCAR.relax1.xz
213 Bytes
._XDATCAR.relax2.xz
213 Bytes
._XDATCAR.relax3.xz
213 Bytes
._aflow.agroup.out.xz
213 Bytes
._aflow.end.out
213 Bytes
._aflow.fgroup.out.xz
213 Bytes
._aflow.iatoms.out.xz
213 Bytes
._aflow.in
213 Bytes
._aflow.pgroup.out.xz
213 Bytes
._aflow.pgroup_xtal.out.xz
213 Bytes
._aflow.pgroupk_Patterson.out.xz
213 Bytes
._aflow.pgroupk_xtal.out.xz
213 Bytes
._aflow.pseudopotential_auid.out.xz
213 Bytes
._aflow.qmvasp.out.xz
213 Bytes
._vasp.out.relax1.xz
213 Bytes
._vasp.out.relax2.xz
213 Bytes
._vasp.out.relax3.xz
213 Bytes
._vasprun.xml.relax1.xz
213 Bytes
._vasprun.xml.relax2.xz
213 Bytes
._vasprun.xml.relax3.xz
213 Bytes
Fe2O3_GeMnO3
._Fe2O3_GeMnO3_20_60_1.8977_PBE_U_ICSD
213 Bytes
Fe2O3_NiTiO3
._Fe2O3_NiTiO3_20_0_0.7679_PBE_U_ICSD
213 Bytes
FeTiO3_MnTiO3
._FeTiO3_MnTiO3_20_0_1.0923_PBE_U_ICSD
213 Bytes
FeTiO3_MnTiO3_20_0_1.0923_PBE_U_ICSD
._BANDS_DOS
213 Bytes
._CHG.relax1.xz
213 Bytes
._CHG.relax2.xz
213 Bytes
._CHG.relax3.xz
213 Bytes
._CHGCAR.relax1.xz
213 Bytes
._CHGCAR.relax2.xz
213 Bytes
._CHGCAR.relax3.xz
213 Bytes
._CONTCAR.relax1.xz
213 Bytes
._CONTCAR.relax2.xz
213 Bytes
._CONTCAR.relax3.xz
213 Bytes
._DOSCAR.relax1.xz
213 Bytes
._DOSCAR.relax2.xz
213 Bytes
._DOSCAR.relax3.xz
213 Bytes
._EIGENVAL.relax1.xz
213 Bytes
._EIGENVAL.relax2.xz
213 Bytes
._EIGENVAL.relax3.xz
213 Bytes
._IBZKPT.relax1.xz
213 Bytes
._IBZKPT.relax2.xz
213 Bytes
._IBZKPT.relax3.xz
213 Bytes
._INCAR.orig.xz
213 Bytes
._INCAR.relax1.xz
213 Bytes
._INCAR.relax2.xz
213 Bytes
._INCAR.relax3.xz
213 Bytes
._KPOINTS.relax1.xz
213 Bytes
._KPOINTS.relax2.xz
213 Bytes
._KPOINTS.relax3.xz
213 Bytes
._LOCK
213 Bytes
._LOCK.3.2.14+2D_KPPRA
213 Bytes
._OSZICAR.relax1.xz
213 Bytes
._OSZICAR.relax2.xz
213 Bytes
._OSZICAR.relax3.xz
213 Bytes
._OUTCAR.relax1.xz
213 Bytes
._OUTCAR.relax2.xz
213 Bytes
._OUTCAR.relax3.xz
213 Bytes
._PCDAT.relax1.xz
213 Bytes
._PCDAT.relax2.xz
213 Bytes
._PCDAT.relax3.xz
213 Bytes
._POSCAR.orig.xz
213 Bytes
._POSCAR.relax1.xz
213 Bytes
._POSCAR.relax2.xz
213 Bytes
._POSCAR.relax3.xz
213 Bytes
._PROCAR.relax1.xz
213 Bytes
._PROCAR.relax2.xz
213 Bytes
._PROCAR.relax3.xz
213 Bytes
._REPORT.xz
213 Bytes
._XDATCAR.relax1.xz
213 Bytes
._XDATCAR.relax2.xz
213 Bytes
._XDATCAR.relax3.xz
213 Bytes
._aflow.agroup.out.xz
213 Bytes
._aflow.end.out
213 Bytes
._aflow.error.out.xz
213 Bytes
._aflow.error.rmm_diis.xz
213 Bytes
._aflow.fgroup.out.xz
213 Bytes
._aflow.iatoms.out.xz
213 Bytes
._aflow.in
213 Bytes
._aflow.pgroup.out.xz
213 Bytes
._aflow.pgroup_xtal.out.xz
213 Bytes
._aflow.pgroupk_Patterson.out.xz
213 Bytes
._aflow.pgroupk_xtal.out.xz
213 Bytes
._aflow.pseudopotential_auid.out.xz
213 Bytes
._aflow.qmvasp.out.xz
213 Bytes
._vasp.out.relax1.xz
213 Bytes
._vasp.out.relax2.xz
213 Bytes
._vasp.out.relax3.xz
213 Bytes
._vasprun.xml.relax1.xz
213 Bytes
._vasprun.xml.relax2.xz
213 Bytes
._vasprun.xml.relax3.xz
213 Bytes
Supplementary
._.DS_Store
120 Bytes
._Reference
213 Bytes
HSE06
._.DS_Store
120 Bytes
Reference
._.DS_Store
120 Bytes
._Graphene_Graphene
213 Bytes
Strain_Effect
._.DS_Store
120 Bytes