results_DSH_2D_3D.zip
The previewer is not showing all the files.
__MACOSX
results_DSH_2D_3D
._Figure_4a.xlsx
1.6 kB
results_DSH_2D_3D
Figure_2
CsPbBr3
DSH_BP_iter1
EIGENVAL
25.9 kB
GG.out
148 Bytes
INCAR.DFT
141 Bytes
INCAR.DSH
473 Bytes
KPOINTS
75 Bytes
OUTCAR
979.6 kB
POSCAR
392 Bytes
job_vasp
1.5 kB
res.txt
36.0 kB
DSH_BP_iter2
EIGENVAL
25.9 kB
GG.out
148 Bytes
INCAR
512 Bytes
KPOINTS
75 Bytes
OUTCAR
972.8 kB
POSCAR
392 Bytes
job_vasp
1.3 kB
res.txt
29.5 kB
DSH_BP_iter3
EIGENVAL
25.9 kB
INCAR
553 Bytes
KPOINTS
75 Bytes
OUTCAR
965.9 kB
POSCAR
392 Bytes
job_vasp
1.3 kB
res.txt
27.8 kB
DSH_BP_iter4
EIGENVAL
25.9 kB
INCAR
598 Bytes
KPOINTS
75 Bytes
OUTCAR
961.4 kB
POSCAR
392 Bytes
job_vasp
1.3 kB
res.txt
26.9 kB
HSE
EIGENVAL
25.9 kB
GG.out
142 Bytes
INCAR.DFT
141 Bytes
INCAR.HSE
280 Bytes
KPOINTS
75 Bytes
OUTCAR
111.2 kB
POSCAR
392 Bytes
job_vasp
1.5 kB
PBE
EIGENVAL
25.9 kB
GG.out
710 Bytes
INCAR.DFT
141 Bytes
KPOINTS
75 Bytes
OUTCAR
113.6 kB
POSCAR
392 Bytes
job_vasp
1.3 kB
res.txt
5.5 kB
PBE0
EIGENVAL
25.9 kB
GG.out
426 Bytes
INCAR
307 Bytes
INCAR.DFT
141 Bytes
INCAR.DSH
258 Bytes
KPOINTS
75 Bytes
OUTCAR
113.2 kB
POSCAR
392 Bytes
job_vasp
1.5 kB
res.txt
13.0 kB
PBE_BP
CsPbCl3
DSH_BP_iter1
EIGENVAL
25.9 kB
GG.out
148 Bytes
INCAR.DFT
152 Bytes
INCAR.DSH
363 Bytes
KPOINTS
75 Bytes
OUTCAR
964.7 kB
OUTCAR_DFT
115.0 kB
POSCAR
389 Bytes
job_vasp
1.5 kB
DSH_BP_iter2
EIGENVAL
26.0 kB
INCAR
488 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
389 Bytes
job_vasp
1.3 kB
DSH_BP_iter3
EIGENVAL
26.0 kB
INCAR
527 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
389 Bytes
job_vasp
1.3 kB
DSH_BP_iter4
EIGENVAL
26.0 kB
GG.out
148 Bytes
INCAR
567 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
389 Bytes
job_vasp
1.3 kB
HSE
EIGENVAL
26.0 kB
GG.out
142 Bytes
INCAR.DFT
141 Bytes
INCAR.HSE
280 Bytes
KPOINTS
75 Bytes
OUTCAR
112.6 kB
POSCAR
389 Bytes
job_vasp
1.4 kB
PBE
EIGENVAL
166.2 kB
GG.out
284 Bytes
INCAR.DFT
141 Bytes
KPOINTS
75 Bytes
OUTCAR
280.7 kB
POSCAR
389 Bytes
job_vasp
1.3 kB
res.txt
5.0 kB
PBE0
EIGENVAL
26.0 kB
GG.out
142 Bytes
INCAR.DFT
141 Bytes
INCAR.DSH
258 Bytes
KPOINTS
75 Bytes
OUTCAR
112.5 kB
POSCAR
389 Bytes
job_vasp
1.4 kB
PBE_BP
CsPbI3
BP_BP
EIGENVAL
25.9 kB
INCAR
194 Bytes
KPOINTS
74 Bytes
OUTCAR
1.2 MB
POSCAR
390 Bytes
job_vasp
1.3 kB
res.txt
56.2 kB
DSH_BP_iter1
DSH_BP_iter2
DSH_BP_iter3
EIGENVAL
25.9 kB
INCAR
479 Bytes
KPOINTS
75 Bytes
OUTCAR
988.2 kB
POSCAR
390 Bytes
job_vasp
1.4 kB
res.txt
33.5 kB
DSH_BP_iter4
EIGENVAL
25.9 kB
GG.out
148 Bytes
INCAR
522 Bytes
KPOINTS
75 Bytes
OUTCAR
978.9 kB
POSCAR
390 Bytes
job_vasp
1.4 kB
res.txt
31.2 kB
HSE
EIGENVAL
25.9 kB
GG.out
568 Bytes
INCAR.DFT
141 Bytes
INCAR.HSE
280 Bytes
KPOINTS
75 Bytes
OUTCAR
113.6 kB
POSCAR
390 Bytes
job_vasp
1.5 kB
res.txt
13.0 kB
PBE
EIGENVAL
25.9 kB
GG.out
142 Bytes
INCAR.DFT
141 Bytes
INCAR.DSH
258 Bytes
KPOINTS
75 Bytes
OUTCAR
115.9 kB
POSCAR
390 Bytes
res.txt
5.6 kB
PBE0
EIGENVAL
25.9 kB
GG.out
142 Bytes
INCAR.DFT
141 Bytes
INCAR.PBE0
258 Bytes
KPOINTS
75 Bytes
OUTCAR
113.5 kB
POSCAR
390 Bytes
job_vasp
1.5 kB
res.txt
13.0 kB
GaAs
DSH_BP_iter1
EIGENVAL
19.2 kB
INCAR
365 Bytes
INCAR.DFT
67 Bytes
INCAR.DSH
365 Bytes
KPOINTS
27 Bytes
OUTCAR
880.8 kB
POSCAR
524 Bytes
job_vasp
1.4 kB
DSH_BP_iter2
EIGENVAL
19.2 kB
INCAR
386 Bytes
KPOINTS
27 Bytes
OUTCAR
870.2 kB
POSCAR
524 Bytes
job_vasp
1.4 kB
DSH_BP_iter3
EIGENVAL
19.2 kB
GG.out
148 Bytes
KPOINTS
27 Bytes
OUTCAR
882.7 kB
POSCAR
524 Bytes
job_vasp
1.5 kB
DSH_BP_iter4
EIGENVAL
19.2 kB
GG.out
148 Bytes
INCAR
471 Bytes
KPOINTS
27 Bytes
OUTCAR
861.7 kB
POSCAR
524 Bytes
job_vasp
1.5 kB
HSE
GG.out
284 Bytes
INCAR.DFT
86 Bytes
INCAR.DIAG
116 Bytes
INCAR.DOS
375 Bytes
INCAR.HSE
331 Bytes
KPOINTS
78 Bytes
OUTCAR_DFT
122.8 kB
OUTCAR_HSE
216.1 kB
POSCAR
524 Bytes
job_vasp
2.0 kB
PBE
INCAR
1.2 kB
KPOINTS
74 Bytes
POSCAR
524 Bytes
job_vasp
1.4 kB
PBE0
GG.out
284 Bytes
INCAR.DFT
86 Bytes
INCAR.DIAG
116 Bytes
INCAR.DOS
375 Bytes
INCAR.PBE0
241 Bytes
KPOINTS
78 Bytes
OUTCAR_DFT
122.8 kB
OUTCAR_PBE0
215.9 kB
POSCAR
524 Bytes
job_vasp
2.0 kB
PBE_BP
Si
BP_PBE
EIGENVAL
10.6 kB
INCAR
201 Bytes
KPOINTS
75 Bytes
OUTCAR
608.9 kB
POSCAR
89 Bytes
DSH_BP_iter1
EIGENVAL
10.6 kB
INCAR
365 Bytes
INCAR.DSH
365 Bytes
KPOINTS
75 Bytes
OUTCAR
577.3 kB
POSCAR
89 Bytes
DSH_BP_iter2
EIGENVAL
10.6 kB
INCAR
407 Bytes
KPOINTS
75 Bytes
OUTCAR
566.7 kB
POSCAR
89 Bytes
job_vasp
1.4 kB
DSH_BP_iter3
EIGENVAL
10.6 kB
INCAR
428 Bytes
KPOINTS
75 Bytes
OUTCAR
560.9 kB
POSCAR
89 Bytes
job_vasp
1.4 kB
DSH_BP_iter4
EIGENVAL
10.6 kB
INCAR
449 Bytes
KPOINTS
75 Bytes
OUTCAR
558.1 kB
POSCAR
89 Bytes
job_vasp
1.4 kB
HSE
EIGENVAL
47.3 kB
EIGENVAL_DFT
47.3 kB
EIGENVAL_HSE
47.3 kB
GG.out
1.1 kB
INCAR.DFT
86 Bytes
INCAR.DIAG
116 Bytes
INCAR.DOS
375 Bytes
INCAR.HSE
196 Bytes
INCAR.SCF
79 Bytes
KPOINTS
28 Bytes
OUTCAR
94.6 kB
OUTCAR_DFT
115.4 kB
OUTCAR_HSE
210.4 kB
POSCAR
89 Bytes
job_vasp
2.0 kB
res.txt
15.9 kB
PBE
EIGENVAL
132.5 kB
GG.out
426 Bytes
INCAR
172 Bytes
KPOINTS
30 Bytes
OUTCAR
187.9 kB
POSCAR
89 Bytes
job_vasp
1.4 kB
res.txt
4.0 kB
PBE0
EIGENVAL_DFT
47.3 kB
EIGENVAL_PBE0
47.3 kB
GG.out
568 Bytes
INCAR.DFT
86 Bytes
INCAR.DIAG
116 Bytes
INCAR.DOS
375 Bytes
INCAR.PBE0
181 Bytes
INCAR.SCF
79 Bytes
KPOINTS
28 Bytes
OUTCAR_DFT
115.4 kB
OUTCAR_PBE0
210.2 kB
POSCAR
89 Bytes
job_vasp
2.0 kB
pCsPbBr3
DSH_BP_iter1
EIGENVAL
109.6 kB
INCAR.DFT
146 Bytes
INCAR.DSH
440 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
2.7 kB
job_vasp
1.5 kB
res.txt
20.2 kB
DSH_BP_iter2
EIGENVAL
109.6 kB
INCAR
491 Bytes
KPOINTS
75 Bytes
OUTCAR
992.6 kB
POSCAR
2.7 kB
job_vasp
1.4 kB
res.txt
12.9 kB
DSH_BP_iter3
EIGENVAL
109.6 kB
INCAR
493 Bytes
KPOINTS
75 Bytes
OUTCAR
987.5 kB
POSCAR
2.7 kB
job_vasp
1.4 kB
res.txt
12.4 kB
HSE
EIGENVAL
875.6 kB
GG.out
142 Bytes
INCAR
433 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
INCAR.HSE
330 Bytes
KPOINTS
75 Bytes
OUTCAR
956.2 kB
POSCAR
2.7 kB
job_vasp
1.8 kB
res.txt
19.3 kB
PBE
EIGENVAL
875.6 kB
GG.out
142 Bytes
INCAR
172 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
KPOINTS
75 Bytes
OUTCAR
956.2 kB
POSCAR
2.7 kB
job_vasp
1.7 kB
res.txt
14.5 kB
PBE0
EIGENVAL
875.6 kB
GG.out
284 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
INCAR.PBE0
315 Bytes
KPOINTS
75 Bytes
OUTCAR
956.2 kB
POSCAR
2.7 kB
job_vasp
1.8 kB
res.txt
19.3 kB
PBE_BP
EIGENVAL
875.6 kB
GG.out
296 Bytes
INCAR
268 Bytes
KPOINTS
75 Bytes
OUTCAR
6.0 MB
POSCAR
2.7 kB
job_vasp
1.5 kB
res.txt
19.2 kB
pCsPbCl3
DSH_BP_iter1
EIGENVAL
109.6 kB
INCAR.DFT
146 Bytes
INCAR.DSH
392 Bytes
KPOINTS
75 Bytes
OUTCAR
1000.0 kB
POSCAR
2.7 kB
job_vasp
1.5 kB
res.txt
18.7 kB
DSH_BP_iter2
EIGENVAL
109.6 kB
INCAR
442 Bytes
KPOINTS
75 Bytes
OUTCAR
986.5 kB
POSCAR
2.7 kB
job_vasp
1.4 kB
res.txt
11.9 kB
DSH_BP_iter3
EIGENVAL
109.6 kB
INCAR
491 Bytes
KPOINTS
75 Bytes
OUTCAR
981.4 kB
POSCAR
2.7 kB
job_vasp
1.4 kB
res.txt
11.4 kB
HSE
EIGENVAL
109.6 kB
GG.out
142 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
173 Bytes
INCAR.DOS
433 Bytes
INCAR.HSE
330 Bytes
KPOINTS
75 Bytes
OUTCAR
235.7 kB
POSCAR
2.7 kB
res.txt
18.4 kB
PBE
EIGENVAL
875.6 kB
GG.out
284 Bytes
INCAR
146 Bytes
KPOINTS
75 Bytes
OUTCAR
974.3 kB
POSCAR
2.7 kB
res.txt
5.9 kB
PBE0
EIGENVAL
109.6 kB
GG.out
142 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
INCAR.PBE0
315 Bytes
KPOINTS
75 Bytes
OUTCAR
235.7 kB
POSCAR
2.7 kB
res.txt
18.4 kB
PBE_BP
EIGENVAL
875.6 kB
INCAR
181 Bytes
KPOINTS
74 Bytes
OUTCAR
6.0 MB
POSCAR
4.7 kB
job_vasp
1.3 kB
res.txt
18.3 kB
pCsPbI3
DSH_BP_iter1
EIGENVAL
109.6 kB
INCAR.DSH
514 Bytes
INCAR.SCF
155 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
2.4 kB
es2
49 Bytes
job_vasp
1.5 kB
res.txt
27.7 kB
DSH_BP_iter2
EIGENVAL
109.6 kB
INCAR
554 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
2.4 kB
job_vasp
1.4 kB
res.txt
20.5 kB
res2
49 Bytes
DSH_BP_iter3
EIGENVAL
109.6 kB
INCAR
595 Bytes
KPOINTS
75 Bytes
OUTCAR
1.0 MB
POSCAR
2.4 kB
job_vasp
1.4 kB
res.txt
19.7 kB
res2
49 Bytes
HSE
EIGENVAL
875.6 kB
GG.out
426 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
INCAR.HSE
330 Bytes
INCAR.SCF
155 Bytes
KPOINTS
75 Bytes
OUTCAR
956.5 kB
POSCAR
2.4 kB
job_vasp
1.8 kB
res.txt
19.3 kB
PBE
EIGENVAL
875.6 kB
GG.out
142 Bytes
INCAR
156 Bytes
KPOINTS
75 Bytes
OUTCAR
977.4 kB
POSCAR
2.4 kB
job_vasp
1.3 kB
res.txt
5.9 kB
res2
35 Bytes
PBE0
EIGENVAL
875.6 kB
GG.out
142 Bytes
INCAR.DFT
146 Bytes
INCAR.DIAG
174 Bytes
INCAR.DOS
433 Bytes
INCAR.PBE0
315 Bytes
INCAR.SCF
155 Bytes
KPOINTS
75 Bytes
OUTCAR
956.5 kB
POSCAR
2.4 kB
job_vasp
1.8 kB
res.txt
19.4 kB
PBE_BP
EIGENVAL
875.6 kB
GG.out
148 Bytes
INCAR
268 Bytes
KPOINTS
75 Bytes
OUTCAR
6.0 MB
POSCAR
2.4 kB
job_vasp
1.6 kB
res.txt
20.5 kB
res2
35 Bytes
pCsSnI3
DSH_BP_iter1
EIGENVAL
114.4 kB
EIGENVAL_DFT
114.4 kB
EIGENVAL_DSH
114.4 kB
INCAR.DFT
162 Bytes
INCAR.DSH
415 Bytes
KPOINTS
74 Bytes
OUTCAR
1.1 MB
OUTCAR_DFT
261.4 kB
OUTCAR_DSH
1.1 MB
POSCAR
2.8 kB
job_vasp
1.6 kB
res.txt
26.8 kB
DSH_BP_iter2
EIGENVAL
114.4 kB
EIGENVAL_DSH
114.4 kB
INCAR.DSH
451 Bytes
KPOINTS
74 Bytes
OUTCAR
1.0 MB
OUTCAR_DSH
1.0 MB
POSCAR
2.8 kB
job_vasp
1.4 kB
res.txt
20.1 kB
DSH_BP_iter3
EIGENVAL
114.4 kB
EIGENVAL_DSH
114.4 kB
INCAR.DFT
162 Bytes
INCAR.DSH
486 Bytes
KPOINTS
74 Bytes
OUTCAR
1.0 MB
OUTCAR_DSH
1.0 MB
POSCAR
2.8 kB
job_vasp
1.4 kB
res.txt
19.3 kB
HSE
EIGENVAL
913.5 kB
EIGENVAL_DFT
913.5 kB
EIGENVAL_HSE
913.5 kB
GG.out
142 Bytes
INCAR.DFT
162 Bytes
INCAR.HSE
346 Bytes
KPOINTS
74 Bytes
OUTCAR
980.9 kB
POSCAR
2.8 kB
job_vasp
1.6 kB
res.txt
11.1 kB
PBE
EIGENVAL
875.6 kB
GG.out
142 Bytes
KPOINTS
74 Bytes
OUTCAR
975.8 kB
POSCAR
2.8 kB
job_vasp
1.3 kB
res.txt
6.8 kB
PBE0
EIGENVAL
913.5 kB
EIGENVAL_DFT
913.5 kB
EIGENVAL_PBE0
913.5 kB
GG.out
142 Bytes
INCAR.DFT
162 Bytes
INCAR.PBE0
331 Bytes
KPOINTS
74 Bytes
OUTCAR
980.7 kB
OUTCAR_DFT
1.0 MB
OUTCAR_PBE0
980.7 kB
POSCAR
2.8 kB
job_vasp
1.6 kB
res.txt
11.0 kB
PBE_BP
EIGENVAL
913.5 kB
INCAR
181 Bytes
KPOINTS
74 Bytes
OUTCAR
6.3 MB
POSCAR
2.8 kB
job_vasp
1.3 kB
res.txt
22.9 kB
pFAPbCl3
DSH_BP_iter1
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.DSH
114.4 kB
INCAR.DFT
162 Bytes
INCAR.DSH
414 Bytes
KPOINTS
74 Bytes
OUTCAR
1.2 MB
OUTCAR.DFT
367.4 kB
OUTCAR.DSH
1.2 MB
POSCAR
3.8 kB
job_vasp
648 Bytes
vasp.log.DFT
5.5 kB
vasp.log.DSH
14.7 kB
DSH_BP_iter2
EIGENVAL.DSH
114.4 kB
INCAR.DSH
450 Bytes
KPOINTS
74 Bytes
OUTCAR.DSH
1.1 MB
POSCAR
3.8 kB
job_vasp
550 Bytes
vasp.log.DSH
12.2 kB
DSH_BP_iter3
EIGENVAL.DSH
114.4 kB
INCAR.DSH
474 Bytes
KPOINTS
74 Bytes
OUTCAR.DSH
1.1 MB
POSCAR
3.8 kB
job_vasp
550 Bytes
vasp.log.DSH
11.3 kB
HSE
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.HSE
114.4 kB
INCAR.DFT
162 Bytes
INCAR.DIAG
177 Bytes
INCAR.DOS
434 Bytes
INCAR.HSE
334 Bytes
KPOINTS
74 Bytes
OUTCAR
347.7 kB
OUTCAR.DFT
365.3 kB
OUTCAR.HSE
358.4 kB
POSCAR
3.8 kB
job_vasp
755 Bytes
vasp.log.DFT
11.6 kB
vasp.log.HSE
15.8 kB
PBE
EIGENVAL.DFT
114.4 kB
GG.out
142 Bytes
INCAR.DFT
170 Bytes
KPOINTS
75 Bytes
OUTCAR.DFT
367.4 kB
POSCAR
3.8 kB
job_vasp
543 Bytes
vasp.log.DFT
5.5 kB
PBE0
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.PBE0
114.4 kB
GG.out
284 Bytes
INCAR.DFT
162 Bytes
INCAR.DIAG
177 Bytes
INCAR.DOS
434 Bytes
INCAR.PBE0
275 Bytes
KPOINTS
74 Bytes
OUTCAR
347.7 kB
OUTCAR.DFT
365.3 kB
OUTCAR.PBE0
315.4 kB
POSCAR
3.8 kB
job_vasp
761 Bytes
vasp.log.DFT
11.6 kB
vasp.log.PBE0
10.0 kB
PBE_BP
EIGENVAL.DFT
913.5 kB
INCAR.DFT
188 Bytes
KPOINTS
75 Bytes
OUTCAR.DFT
6.4 MB
POSCAR
3.8 kB
job_vasp
546 Bytes
vasp.log.DFT
18.6 kB
pMAPbCl3
DSH_BP_iter1
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.DSH
114.4 kB
INCAR.DFT
162 Bytes
INCAR.DSH
414 Bytes
KPOINTS
74 Bytes
OUTCAR
1.1 MB
OUTCAR.DFT
367.4 kB
OUTCAR.DSH
1.1 MB
POSCAR
3.9 kB
job_vasp
648 Bytes
vasp.log.DFT
5.5 kB
vasp.log.DSH
12.9 kB
DSH_BP_iter2
EIGENVAL
114.4 kB
EIGENVAL.DSH
114.4 kB
INCAR.DSH
451 Bytes
KPOINTS
74 Bytes
OUTCAR
1.1 MB
OUTCAR.DSH
1.1 MB
POSCAR
3.9 kB
job_vasp
550 Bytes
vasp.log.DSH
11.4 kB
DSH_BP_iter3
EIGENVAL
114.4 kB
EIGENVAL.DSH
114.4 kB
INCAR.DSH
487 Bytes
KPOINTS
74 Bytes
OUTCAR
1.1 MB
OUTCAR.DSH
1.1 MB
POSCAR
3.9 kB
job_vasp
550 Bytes
vasp.log.DSH
10.6 kB
HSE
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.HSE
114.4 kB
GG.out
142 Bytes
INCAR.DFT
162 Bytes
INCAR.DIAG
177 Bytes
INCAR.DOS
434 Bytes
INCAR.HSE
334 Bytes
KPOINTS
74 Bytes
OUTCAR
347.7 kB
OUTCAR.DFT
365.3 kB
OUTCAR.HSE
353.8 kB
POSCAR
3.9 kB
job_vasp
755 Bytes
vasp.log.DFT
11.6 kB
vasp.log.HSE
14.7 kB
PBE
EIGENVAL.DFT
1.3 MB
INCAR.DFT
171 Bytes
KPOINTS
75 Bytes
OUTCAR.DFT
1.4 MB
POSCAR
3.9 kB
job_vasp
519 Bytes
vasp.log.DFT
5.6 kB
PBE0
EIGENVAL
114.4 kB
EIGENVAL.DFT
114.4 kB
EIGENVAL.PBE0
114.4 kB
GG.out
142 Bytes
INCAR.DFT
162 Bytes
INCAR.DIAG
177 Bytes
INCAR.DOS
434 Bytes
INCAR.PBE0
275 Bytes
KPOINTS
74 Bytes
OUTCAR
347.7 kB
OUTCAR.DFT
365.3 kB
OUTCAR.PBE0
315.4 kB
POSCAR
3.9 kB
job_vasp
762 Bytes
vasp.log.DFT
11.6 kB
vasp.log.PBE0
10.0 kB
PBE_BP
EIGENVAL
913.5 kB
EIGENVAL.DFT
913.5 kB
INCAR.DFT
188 Bytes
KPOINTS
75 Bytes
OUTCAR
6.4 MB
POSCAR
3.9 kB
job_vasp
499 Bytes
vasp.log.DFT
18.1 kB
Figure_3
4FPEA2PbI4
DSH_BP_iter1
DSH_BP_iter2
DSH_BP_iter3
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
BA2PbBr4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
BA2PbCl4
DSH_BP_iter1
DSH_aver
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
BA2PbI4
DSH_BP_iter1
DSH_BP_iter2
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
BA2SnI4
DSH_BP_iter1
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PEA2PbBr4
DSH_BP_iter1
DSH_ave
DSH_ave_kp_221
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PEA2PbCl4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PEA2PbI4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PEA2SnI4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PMA2PbBr4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PMA2PbCl4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
PBE_BP
PMA2PbI4
DSH_BP_iter1
DSH_ave
DSH_ino_poly
HSE
PBE
PBE0
GG.out
426 Bytes
INCAR
457 Bytes
INCAR.DFT
170 Bytes
INCAR.DFT.adsatra
170 Bytes
INCAR.DOS
457 Bytes
OUTCAR
543.0 kB
job_vasp
1.2 kB
PBE_BP
EIGENVAL
332.3 kB
INCAR.BP
298 Bytes
KPOINTS
75 Bytes
OUTCAR
3.9 MB
POSCAR
9.6 kB
job-vasp
1.4 kB
out_pdos
19.8 kB
std_err_7477656.e
4.0 kB
std_out_7477656.o
2.1 kB
Figure_4a.xlsx
10.4 kB
Figure_4b
n1
DSH_ino_poly
EIGENVAL
190.3 kB
EIGENVAL_DFT
190.3 kB
EIGENVAL_DSH
190.3 kB
GG.out
568 Bytes
INCAR.DFT
172 Bytes
INCAR.DIAG
198 Bytes
INCAR.DOS
460 Bytes
INCAR.DSH
438 Bytes
KPOINTS
73 Bytes
OUTCAR
548.5 kB
OUTCAR_DFT
634.9 kB
OUTCAR_DSH
513.0 kB
POSCAR
17.5 kB
job-vasp
1.6 kB
out_pdos
14.6 kB
std_err_7483216.e
3.3 kB
std_out_7483216.o
2.5 kB
PBE0
EIGENVAL
190.3 kB
EIGENVAL_DFT
190.3 kB
EIGENVAL_PBE0
190.3 kB
GG.out
142 Bytes
INCAR.DFT
162 Bytes
INCAR.DIAG
190 Bytes
INCAR.DOS
449 Bytes
INCAR.PBE0
331 Bytes
KPOINTS
75 Bytes
OUTCAR
470.0 kB
OUTCAR_DFT
581.6 kB
OUTCAR_PBE0
470.0 kB
POSCAR
17.5 kB
job_vasp
1.8 kB
res.txt
17.7 kB
n2
DSH_ino_poly
EIGENVAL_DFT
513.9 kB
EIGENVAL_DSH
513.9 kB
GG.out
1.4 kB
INCAR.DFT
171 Bytes
INCAR.DIAG
197 Bytes
INCAR.DOS
458 Bytes
INCAR.DSH
400 Bytes
KPOINTS
75 Bytes
OUTCAR_DFT
795.8 kB
OUTCAR_DSH
736.4 kB
POSCAR
10.0 kB
job-vasp
1.6 kB
out_pdos
12.2 kB
std_err_6995496.e
3.3 kB
std_out_6995496.o
2.5 kB
PBE0
EIGENVAL_DFT
513.9 kB
EIGENVAL_PBE0
513.9 kB
GG.out
852 Bytes
INCAR.DFT
171 Bytes
INCAR.DIAG
197 Bytes
INCAR.DOS
458 Bytes
INCAR.PBE0
341 Bytes
KPOINTS
75 Bytes
OUTCAR_DFT
795.8 kB
OUTCAR_PBE0
736.4 kB
POSCAR
10.0 kB
job-vasp
1.6 kB
out_pdos
12.2 kB
std_err_7343577.e
3.3 kB
std_out_7343577.o
2.5 kB
n3
DSH_ino_poly
DOSCAR
43.6 MB
EIGENVAL
114.4 kB
EIGENVAL_DFT
114.4 kB
EIGENVAL_DSH
114.4 kB
GG.out
994 Bytes
INCAR.DFT
171 Bytes
INCAR.DIAG
197 Bytes
INCAR.DOS
458 Bytes
INCAR.DSH
400 Bytes
KPOINTS
75 Bytes
OUTCAR
387.0 kB
OUTCAR_DFT
458.6 kB
OUTCAR_DSH
370.9 kB
POSCAR
11.1 kB
PROCAR
92.9 MB
job-vasp
1.6 kB
out_pdos
13.2 kB
std_err_6995387.e
3.3 kB
std_out_6995387.o
2.5 kB
PBE0
EIGENVAL
513.9 kB
EIGENVAL_DFT
513.9 kB
EIGENVAL_PBE0
513.9 kB
INCAR.DFT
171 Bytes
INCAR.DIAG
197 Bytes
INCAR.DOS
458 Bytes
INCAR.PBE0
341 Bytes
KPOINTS
75 Bytes
OUTCAR
762.1 kB
OUTCAR_DFT
835.9 kB
OUTCAR_PBE0
750.9 kB
POSCAR
11.1 kB
job-vasp
1.6 kB
out_pdos
13.2 kB
std_err_7343691.e
3.3 kB
std_out_7343691.o
2.5 kB