AlNGaN Manuscript.zip
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01Relax
GNA
R2LH
705
CONTCAR
1.4 kB
INCAR
702 Bytes
KPOINTS
38 Bytes
OSZICAR
53.6 kB
POSCAR
833 Bytes
POTCAR
794.2 kB
out.log
72.7 kB
v3.pbs
196 Bytes
CONTCAR
1.4 kB
CONTCAR.cif
1.7 kB
INCAR
731 Bytes
KPOINTS
38 Bytes
POSCAR
833 Bytes
POSCAR.cif
1.6 kB
POTCAR
794.2 kB
out.log
78.0 kB
v3.pbs
196 Bytes
R4LH
708
CONTCAR
2.3 kB
INCAR
702 Bytes
OSZICAR
72.2 kB
out.log
94.5 kB
CONTCAR
2.3 kB
CONTCAR1
2.3 kB
INCAR
775 Bytes
INCAR1
773 Bytes
KPOINTS
38 Bytes
POSCAR
2.3 kB
POSCAR1
1.3 kB
POTCAR
794.2 kB
out.log
47.9 kB
out1.log
109.0 kB
v3.pbs
196 Bytes
R6LH
710
CONTCAR
3.2 kB
INCAR
702 Bytes
OSZICAR
87.3 kB
out.log
112.8 kB
CONTCAR
3.2 kB
CONTCAR1
3.2 kB
INCAR
774 Bytes
INCAR1
772 Bytes
KPOINTS
38 Bytes
OUTCAR
221.5 kB
POSCAR
3.2 kB
POSCAR1
1.8 kB
POTCAR
794.2 kB
out.log
3.7 kB
out1.log
148.9 kB
v3.pbs
196 Bytes
R8LH
712
CONTCAR
4.1 kB
INCAR
702 Bytes
OSZICAR
147.9 kB
out.log
203.4 kB
CONTCAR1
4.1 kB
INCAR
771 Bytes
INCAR1
771 Bytes
KPOINTS
38 Bytes
POSCAR
4.1 kB
POSCAR1
2.2 kB
POTCAR
794.2 kB
out.log
3.0 MB
out1.log
187.1 kB
v3.pbs
212 Bytes
INCAR
702 Bytes
KPOINTS
38 Bytes
POTCAR_GaNAlH
794.2 kB
R2L_Vac
1.3
CONTCAR
1.2 kB
INCAR
702 Bytes
KPOINTS
38 Bytes
OSZICAR
66.3 kB
POSCAR
711 Bytes
POTCAR
653.0 kB
out.log
85.1 kB
v3.pbs
195 Bytes
2.0
CONTCAR
1.2 kB
INCAR
702 Bytes
KPOINTS
38 Bytes
OSZICAR
101.1 kB
POSCAR
711 Bytes
POTCAR
653.0 kB
out.log
128.3 kB
v3.pbs
195 Bytes
2.7
CONTCAR
1.2 kB
INCAR
702 Bytes
KPOINTS
38 Bytes
OSZICAR
116.9 kB
POSCAR
711 Bytes
POTCAR
653.0 kB
out.log
145.7 kB
v3.pbs
195 Bytes
3.4
CONTCAR
1.2 kB
INCAR
702 Bytes
KPOINTS
38 Bytes
OSZICAR
86.8 kB
POSCAR
711 Bytes
POTCAR
653.0 kB
out.log
120.3 kB
v3.pbs
195 Bytes
02BAND
AG2LH
01SL
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
4.3 kB
v3.pbs
194 Bytes
02BL
BAND.dat
36.5 kB
BAND_GAP
474 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KLABELS
308 Bytes
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
SYMMETRY
194 Bytes
out.log
2.8 kB
v3.pbs
194 Bytes
03SL
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
4.3 kB
v3.pbs
194 Bytes
04HL
BAND.dat
29.9 kB
BAND_GAP
478 Bytes
INCAR
1.4 kB
KLABELS
308 Bytes
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
8.0 kB
v3.pbs
194 Bytes
05SL
CONTCAR
1.4 kB
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
4.3 kB
v3.pbs
195 Bytes
06HL
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
6.5 kB
v3.pbs
195 Bytes
07DL
BAND_GAP
612 Bytes
FERMI_ENERGY
247 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
PDOS0.dat
399.3 kB
PDOS1.dat
399.3 kB
PDOS2.dat
399.3 kB
PDOS3.dat
399.3 kB
PDOS4.dat
399.3 kB
PDOS5.dat
399.3 kB
PDOS_2LH.opju
912.1 kB
POSCAR
1.4 kB
POTCAR
794.2 kB
SELECTED_ATOMS_LIST
819 Bytes
TDOS.dat
87.1 kB
cmd.in
98 Bytes
out.log
2.3 kB
v3.pbs
195 Bytes
POS_2LH.png
5.0 MB
POS_2LH0.png
4.6 MB
GNlayer
11S
INCAR
1.3 kB
S11
GaN1.cif
843 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
523 Bytes
POTCAR
455.4 kB
out.log
3.7 kB
v3.pbs
194 Bytes
S12
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
754 Bytes
POTCAR
596.6 kB
out.log
3.9 kB
v3.pbs
194 Bytes
S21
GaN21.cif
974 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
743 Bytes
POTCAR
455.4 kB
out.log
3.9 kB
v3.pbs
194 Bytes
S22
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
974 Bytes
POTCAR
596.6 kB
out.log
4.0 kB
v3.pbs
194 Bytes
S31
GaN31.vasp
584 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
963 Bytes
POTCAR
455.4 kB
out.log
3.9 kB
v3.pbs
194 Bytes
S32
GaN32.vasp
710 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.2 kB
POTCAR
596.6 kB
out.log
4.1 kB
v3.pbs
194 Bytes
S41
GaN41.vasp
700 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.2 kB
POTCAR
455.4 kB
out.log
2.9 kB
v3.pbs
194 Bytes
S42
GaN42.vasp
826 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
596.6 kB
out.log
4.4 kB
v3.pbs
194 Bytes
S51
GaN51.vasp
816 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
455.4 kB
out.log
5.2 kB
v3.pbs
194 Bytes
S52
GaN52.vasp
942 Bytes
INCAR
1.3 kB
KPOINTS
38 Bytes
POSCAR
1.6 kB
POTCAR
596.6 kB
out.log
8.6 kB
v3.pbs
194 Bytes
v3.pbs
194 Bytes
12B
B11
GaN1.cif
843 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
523 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
2.6 kB
v3.pbs
194 Bytes
B12
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
754 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
2.6 kB
v3.pbs
194 Bytes
B21
GaN21.cif
974 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
743 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
2.7 kB
v3.pbs
194 Bytes
B22
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
974 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
2.7 kB
v3.pbs
194 Bytes
B31
GaN31.vasp
584 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
963 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
2.7 kB
v3.pbs
194 Bytes
B32
GaN32.vasp
710 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.2 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
2.7 kB
v3.pbs
194 Bytes
B41
GaN41.vasp
700 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.2 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
1.6 kB
v3.pbs
194 Bytes
B42
GaN42.vasp
826 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.4 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
2.8 kB
v3.pbs
194 Bytes
B51
GaN51.vasp
816 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.4 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
2.8 kB
v3.pbs
194 Bytes
B52
GaN52.vasp
942 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.6 kB
KPATH.in
458 Bytes
KPOINTS
458 Bytes
POSCAR
1.6 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
2.8 kB
v3.pbs
194 Bytes
Energy
730 Bytes
Fermi
490 Bytes
Gap
766 Bytes
INCAR
1.6 kB
VBM
980 Bytes
13S
INCAR
1.3 kB
S11
GaN1.cif
843 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
6.3 kB
POSCAR
523 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
3.7 kB
v3.pbs
194 Bytes
S12
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
754 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
3.9 kB
v3.pbs
194 Bytes
S21
GaN21.cif
974 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
743 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
3.9 kB
v3.pbs
194 Bytes
S22
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
974 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
4.0 kB
v3.pbs
194 Bytes
S31
GaN31.vasp
584 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
963 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
3.9 kB
v3.pbs
194 Bytes
S32
GaN32.vasp
710 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.2 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
4.1 kB
v3.pbs
194 Bytes
S41
GaN41.vasp
700 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
1.2 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
2.9 kB
v3.pbs
194 Bytes
S42
GaN42.vasp
826 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.4 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
4.2 kB
v3.pbs
194 Bytes
S51
GaN51.vasp
816 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
6.3 kB
POSCAR
1.4 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
4.8 kB
v3.pbs
194 Bytes
S52
GaN52.vasp
942 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.3 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.6 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
4.4 kB
v3.pbs
194 Bytes
14H
H11
BAND_GAP
474 Bytes
GaN1.cif
843 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
6.3 kB
POSCAR
523 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
9.6 kB
v3.pbs
194 Bytes
H12
BAND_GAP
472 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
754 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
7.0 kB
v3.pbs
194 Bytes
H21
BAND_GAP
474 Bytes
GaN21.cif
974 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
743 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
7.2 kB
v3.pbs
194 Bytes
H22
BAND_GAP
472 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
974 Bytes
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
6.3 kB
v3.pbs
194 Bytes
H31
BAND_GAP
474 Bytes
GaN31.vasp
584 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
963 Bytes
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
6.3 kB
v3.pbs
194 Bytes
H32
BAND_GAP
472 Bytes
GaN32.vasp
710 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.2 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
7.2 kB
v3.pbs
194 Bytes
H41
BAND_GAP
474 Bytes
GaN41.vasp
700 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
6.2 kB
POSCAR
1.2 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
5.4 kB
v3.pbs
194 Bytes
H42
BAND_GAP
472 Bytes
GaN42.vasp
826 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.4 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
8.9 kB
v3.pbs
194 Bytes
H51
4681_20
INCAR
1.5 kB
out.log
16.7 kB
BAND.dat
39.9 kB
BAND_GAP
518 Bytes
GaN51.vasp
816 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.5 kB
KPATH.in
458 Bytes
KPOINTS
6.3 kB
POSCAR
1.4 kB
POTCAR
455.4 kB
SYMMETRY
226 Bytes
out.log
17.8 kB
v3.pbs
194 Bytes
H52
BAND.dat
39.9 kB
BAND_GAP
518 Bytes
GaN52.vasp
942 Bytes
HIGH_SYMMETRY_POINTS
639 Bytes
INCAR
1.4 kB
KPATH.in
458 Bytes
KPOINTS
8.4 kB
POSCAR
1.6 kB
POTCAR
596.6 kB
SYMMETRY
194 Bytes
out.log
12.4 kB
v3.pbs
194 Bytes
INCAR
1.4 kB
Gap
1.7 kB
cmd.in
20 Bytes
03Trans
INCAR
1.4 kB
INCAR_HSE06
1.8 kB
INCAR_PBE
1.4 kB
INPUT.in
763 Bytes
T2
3332
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
OUTCAR
3.1 MB
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
out.log
2.2 kB
5151
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
5.0 kB
v3.pbs
195 Bytes
T4
3367
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
out.log
3.4 kB
5150
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
2.3 kB
POTCAR
794.2 kB
out.log
8.9 kB
v3.pbs
195 Bytes
T6
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
3.2 kB
POTCAR
794.2 kB
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
T6-0.2
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
3.2 kB
POTCAR
794.2 kB
out.log
6.6 kB
v3.pbs
195 Bytes
out.log
4.7 kB
v3.pbs
195 Bytes
T8
0.2
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
4.1 kB
POTCAR
794.2 kB
out.log
17.2 kB
v3.pbs
195 Bytes
CARRIER_CONCENTRATION.dat
147.1 kB
ELECTRONIC_CONDUCTIVITY.dat
252.2 kB
ELECTRONIC_THERMAL_CONDUCTIVITY.dat
252.2 kB
FERMI_ENERGY
247 Bytes
INCAR
1.4 kB
INPUT.in
763 Bytes
KPOINTS
177.3 kB
POSCAR
4.1 kB
POTCAR
794.2 kB
POWER_FACTOR.dat
252.2 kB
SEEBECK_COEFFICIENT.dat
252.2 kB
out.log
6.3 kB
v3.pbs
195 Bytes
v3.pbs
195 Bytes
04SCF
AlN
1Al
INCAR
702 Bytes
KPOINTS
34 Bytes
POSCAR
353 Bytes
POTCAR
197.6 kB
out.log
5.1 kB
v3.pbs
194 Bytes
2N
INCAR
702 Bytes
KPOINTS
34 Bytes
OUTCAR
92.9 kB
POSCAR
353 Bytes
POTCAR
211.1 kB
out.log
5.2 kB
v3.pbs
196 Bytes
AlN
INCAR
702 Bytes
KPOINTS
34 Bytes
POSCAR
506 Bytes
POSCAR0
743 Bytes
POTCAR
408.7 kB
out.log
6.2 kB
v3.pbs
200 Bytes
AlNmp-661.cif
940 Bytes
AlNmp-661.vasp
469 Bytes
Energy
1.2 kB
FAl
Fre.dat
257 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
353 Bytes
POTCAR
197.6 kB
out.log
7.0 kB
v3.pbs
195 Bytes
FAlN
Fre.dat
986 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
743 Bytes
POTCAR
408.7 kB
out.log
24.1 kB
v3.pbs
195 Bytes
INCAR
702 Bytes
POTCAR
408.7 kB
POTCAR_Al
197.6 kB
POTCAR_N
211.1 kB
RAlN
CONTCAR
743 Bytes
INCAR
705 Bytes
KPOINTS
34 Bytes
POSCAR
469 Bytes
POTCAR
408.7 kB
out.log
3.3 kB
v3.pbs
200 Bytes
Bond.xlsx
39.3 kB
CHG
CH2
ACF.dat
897 Bytes
AVF.dat
398 Bytes
BCF.dat
967 Bytes
CHGCAR_sum
10.3 MB
ELFCAR
2.1 MB
ELFCAR2.png
3.2 MB
ELFCAR3.png
4.8 MB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
v3.pbs
196 Bytes
CH4
ACF.dat
1.4 kB
AVF.dat
566 Bytes
BCF.dat
1.6 kB
CHGCAR_sum
14.7 MB
ELFCAR
3.0 MB
ELFCAR2.png
2.2 MB
ELFCAR3.png
3.1 MB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
2.3 kB
POTCAR
794.2 kB
out.log
3.8 kB
v3.pbs
196 Bytes
CH6
3365
out.log
13.8 kB
3368
out.log
23.1 kB
ACF.dat
1.9 kB
AVF.dat
734 Bytes
BCF.dat
2.2 kB
CHGCAR_sum
18.1 MB
ELFCAR
3.7 MB
ELFCAR2.png
1.9 MB
ELFCAR3.png
2.6 MB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
3.2 kB
POTCAR
794.2 kB
out.log
3.7 kB
v3.pbs
196 Bytes
CH8
3366
out.log
15.1 kB
ACF.dat
2.4 kB
AVF.dat
902 Bytes
BCF.dat
2.7 kB
CHGCAR_sum
22.1 MB
ELFCAR
4.6 MB
ELFCAR2.png
1.6 MB
ELFCAR3.png
2.2 MB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
4.1 kB
POTCAR
794.2 kB
out.log
5.1 kB
v3.pbs
196 Bytes
ELFCAR╔½╜╫.png
52.3 kB
Freq
F2
Band.conf
209 Bytes
Fre.dat
1.9 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
OUTCAR
7.0 MB
POSCAR
1.2 kB
POTCAR
653.0 kB
out.log
53.3 kB
v3.pbs
194 Bytes
F4
Fre.dat
3.9 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
2.1 kB
POTCAR
653.0 kB
out.log
150.8 kB
v3.pbs
194 Bytes
F6
Fre.dat
5.8 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
3.0 kB
POTCAR
653.0 kB
out.log
255.2 kB
v3.pbs
194 Bytes
F8
Fre.dat
7.7 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
3.8 kB
POTCAR
653.0 kB
out.log
371.6 kB
v3.pbs
194 Bytes
FH2
Fre.dat
2.4 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
1.4 kB
POTCAR
794.2 kB
out.log
83.0 kB
v3.pbs
195 Bytes
FH4
Fre.dat
4.3 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
2.3 kB
POTCAR
794.2 kB
out.log
163.7 kB
v3.pbs
195 Bytes
FH6
Fre.dat
6.3 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
3.2 kB
POTCAR
794.2 kB
out.log
230.3 kB
v3.pbs
195 Bytes
FH8
Fre.dat
8.2 kB
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
4.1 kB
POTCAR
794.2 kB
out.log
346.4 kB
v3.pbs
195 Bytes
GNlayer
F11
Fre.dat
506 Bytes
GaN1.cif
843 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
523 Bytes
POTCAR
455.4 kB
out.log
17.6 kB
v3.pbs
197 Bytes
F12
Fre.dat
987 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
754 Bytes
POTCAR
596.6 kB
out.log
28.0 kB
v3.pbs
195 Bytes
F21
Fre.dat
986 Bytes
GaN21.cif
974 Bytes
INCAR
1.5 kB
GaN
1Ga
INCAR
702 Bytes
KPOINTS
34 Bytes
OUTCAR
94.0 kB
POSCAR
353 Bytes
POTCAR
244.4 kB
out.log
5.1 kB
v3.pbs
196 Bytes
2N
INCAR
702 Bytes
KPOINTS
34 Bytes
OUTCAR
92.9 kB
POSCAR
353 Bytes
POTCAR
211.1 kB
out.log
5.2 kB
v3.pbs
196 Bytes
FGa
Fre.dat
255 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
353 Bytes
POTCAR
244.4 kB
out.log
6.6 kB
v3.pbs
195 Bytes
FGaN
Fre.dat
986 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
OSZICAR
18.0 kB
POSCAR
743 Bytes
POTCAR
455.4 kB
out.log
23.8 kB
v3.pbs
195 Bytes
FH
Fre.dat
257 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
353 Bytes
POTCAR
141.1 kB
out.log
6.6 kB
v3.pbs
194 Bytes
FN
Fre.dat
257 Bytes
INCAR
1.5 kB
KPOINTS
38 Bytes
POSCAR
353 Bytes
POTCAR
211.1 kB
out.log
11.1 kB
v3.pbs
195 Bytes
GaN
INCAR
702 Bytes
KPOINTS
34 Bytes
OUTCAR
116.5 kB
POSCAR
509 Bytes
POSCAR0
743 Bytes
POTCAR
455.4 kB
out.log
5.9 kB
v3.pbs
195 Bytes
GaNmp-804.cif
940 Bytes
GaNmp-804.vasp
469 Bytes
INCAR
702 Bytes
POTCAR
455.4 kB
POTCAR_Ga
244.4 kB
POTCAR_N
211.1 kB
RGaN
CONTCAR
743 Bytes
INCAR
705 Bytes
KPOINTS
34 Bytes
POSCAR
469 Bytes
POTCAR
455.4 kB
out.log
7.0 kB
v3.pbs
196 Bytes