theoretical-data.zip
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theoretical-data
adsorption_energies
Ti3C2F2
monolayer
CHG
50.8 MB
CHGCAR
76.5 MB
CONTCAR
8.1 kB
DOSCAR
43.5 kB
EIGENVAL
43.1 kB
IBZKPT
357 Bytes
INCAR
858 Bytes
KPOINTS
29 Bytes
OSZICAR
2.6 kB
OUTCAR
158.9 kB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
645.0 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
2.6 kB
vaspout.h5
1.1 MB
vasprun.xml
154.4 kB
with_butylamine
CHG
50.8 MB
CHGCAR
76.5 MB
CONTCAR
10.0 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
4.9 kB
OUTCAR
692.9 kB
PCDAT
234 Bytes
POSCAR
3.8 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
12.3 kB
vaspout.h5
1.6 MB
vasprun.xml
283.8 kB
Ti3C2FOH
monolayer
CHG
203.3 MB
CHGCAR
76.5 MB
CONTCAR
9.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
34.0 kB
OUTCAR
4.9 MB
PCDAT
234 Bytes
POSCAR
4.4 kB
POTCAR
1.0 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
97.0 kB
vaspout.h5
1.6 MB
vasprun.xml
683.5 kB
with_butylamine
CHG
508.2 MB
CHGCAR
76.5 MB
CONTCAR
11.2 kB
DOSCAR
43.5 kB
EIGENVAL
111.8 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
77.5 kB
OUTCAR
14.3 MB
PCDAT
234 Bytes
POSCAR
5.3 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
337.4 kB
vaspout.h5
1.9 MB
vasprun.xml
1.7 MB
Ti3C2OH2
monolayer
CHG
126.5 MB
CHGCAR
95.2 MB
CONTCAR
10.3 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
15.8 kB
OUTCAR
2.1 MB
PCDAT
234 Bytes
POSCAR
4.9 kB
POTCAR
804.3 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
43.7 kB
vaspout.h5
1.4 MB
vasprun.xml
417.2 kB
with_butylamine
CHG
1.5 GB
CHGCAR
95.2 MB
CONTCAR
12.2 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
170.9 kB
OUTCAR
33.9 MB
PCDAT
234 Bytes
POSCAR
5.9 kB
POTCAR
1.0 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
832.2 kB
vaspout.h5
2.8 MB
vasprun.xml
3.8 MB
butylamine_isolated
CHG
50.8 MB
CHGCAR
76.4 MB
CONTCAR
2.3 kB
DOSCAR
43.5 kB
EIGENVAL
12.7 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
6.3 kB
OUTCAR
355.3 kB
PCDAT
234 Bytes
POSCAR
926 Bytes
POTCAR
559.4 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
6.6 kB
vaspout.h5
785.5 kB
vasprun.xml
151.1 kB
center-to-center-distances
Ti3C2
10DA
0_2
CHG
210.8 MB
CHGCAR
45.4 MB
CONTCAR
9.7 kB
DOSCAR
43.5 kB
EIGENVAL
95.5 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
63.5 kB
OUTCAR
8.2 MB
PCDAT
234 Bytes
POSCAR
4.6 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
183.9 kB
vaspout.h5
1.4 MB
vasprun.xml
1.1 MB
0_4
CHG
240.9 MB
CHGCAR
45.4 MB
CONTCAR
9.7 kB
DOSCAR
43.5 kB
EIGENVAL
95.5 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
73.3 kB
OUTCAR
9.5 MB
PCDAT
234 Bytes
POSCAR
4.6 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
213.1 kB
vaspout.h5
1.4 MB
vasprun.xml
1.2 MB
0_6
CHG
240.9 MB
CHGCAR
45.4 MB
CONTCAR
9.7 kB
DOSCAR
43.5 kB
EIGENVAL
95.5 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
81.1 kB
OUTCAR
10.3 MB
PCDAT
234 Bytes
POSCAR
4.6 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
230.6 kB
vaspout.h5
1.4 MB
vasprun.xml
1.3 MB
SAM
CHG
240.9 MB
CHGCAR
45.3 MB
CONTCAR
7.2 kB
DOSCAR
43.5 kB
EIGENVAL
60.0 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
63.8 kB
OUTCAR
6.6 MB
PCDAT
234 Bytes
POSCAR
3.5 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
157.6 kB
vaspout.h5
1.3 MB
vasprun.xml
976.7 kB
initial
CHG
542.0 MB
CHGCAR
45.4 MB
CONTCAR
9.7 kB
DOSCAR
43.5 kB
EIGENVAL
95.5 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
197.4 kB
OUTCAR
23.7 MB
PCDAT
234 Bytes
POSCAR
4.6 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
525.1 kB
vaspout.h5
1.8 MB
vasprun.xml
2.8 MB
6DA
0_2
CHG
168.6 MB
CHGCAR
42.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
59.0 kB
OUTCAR
6.7 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
140.4 kB
vaspout.h5
1.3 MB
vasprun.xml
908.4 kB
0_4
CHG
224.8 MB
CHGCAR
42.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
78.7 kB
OUTCAR
8.8 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
184.7 kB
vaspout.h5
1.3 MB
vasprun.xml
1.1 MB
0_6
CHG
140.5 MB
CHGCAR
42.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
44.8 kB
OUTCAR
5.1 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
106.0 kB
vaspout.h5
1.3 MB
vasprun.xml
731.3 kB
0_8
CHG
140.5 MB
CHGCAR
42.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
46.2 kB
OUTCAR
5.2 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
108.5 kB
vaspout.h5
1.3 MB
vasprun.xml
744.9 kB
SAM
CHG
158.1 MB
CHGCAR
26.5 MB
CONTCAR
5.8 kB
DOSCAR
43.5 kB
EIGENVAL
48.2 kB
IBZKPT
807 Bytes
INCAR
854 Bytes
KPOINTS
29 Bytes
OSZICAR
74.0 kB
OUTCAR
6.3 MB
PCDAT
234 Bytes
POSCAR
2.8 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
139.6 kB
vaspout.h5
1.2 MB
vasprun.xml
944.1 kB
initial
CHG
112.4 MB
CHGCAR
42.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
40.3 kB
OUTCAR
4.5 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
93.7 kB
vaspout.h5
1.3 MB
vasprun.xml
669.6 kB
8DA
0_2
CHG
60.2 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
15.9 kB
OUTCAR
1.7 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
37.8 kB
vaspout.h5
1.3 MB
vasprun.xml
378.1 kB
0_4
CHG
150.6 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
41.0 kB
OUTCAR
4.9 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
110.4 kB
vaspout.h5
1.3 MB
vasprun.xml
733.9 kB
0_6
CHG
301.1 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
91.3 kB
OUTCAR
10.9 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
250.2 kB
vaspout.h5
1.3 MB
vasprun.xml
1.4 MB
0_8
CHG
210.8 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
63.2 kB
OUTCAR
7.5 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
172.2 kB
vaspout.h5
1.3 MB
vasprun.xml
1.0 MB
1_0
CHG
391.4 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
123.1 kB
OUTCAR
14.7 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
336.2 kB
vaspout.h5
1.7 MB
vasprun.xml
1.9 MB
1_2
CHG
240.9 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
76.4 kB
OUTCAR
9.1 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
207.2 kB
vaspout.h5
1.3 MB
vasprun.xml
1.2 MB
1_4
CHG
271.0 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
88.5 kB
OUTCAR
10.2 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
231.4 kB
vaspout.h5
1.3 MB
vasprun.xml
1.3 MB
1_6
CHG
210.8 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
860 Bytes
KPOINTS
29 Bytes
OSZICAR
70.6 kB
OUTCAR
8.2 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
185.7 kB
vaspout.h5
1.3 MB
vasprun.xml
1.1 MB
1_8
CHG
271.0 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
860 Bytes
KPOINTS
29 Bytes
OSZICAR
85.0 kB
OUTCAR
9.7 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
220.6 kB
vaspout.h5
1.3 MB
vasprun.xml
1.3 MB
SAM
CHG
481.8 MB
CHGCAR
45.3 MB
CONTCAR
6.5 kB
DOSCAR
43.5 kB
EIGENVAL
60.0 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
126.2 kB
OUTCAR
13.5 MB
PCDAT
234 Bytes
POSCAR
2.1 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
297.1 kB
vaspout.h5
1.5 MB
vasprun.xml
1.7 MB
initial
CHG
481.8 MB
CHGCAR
45.4 MB
CONTCAR
8.9 kB
DOSCAR
43.5 kB
EIGENVAL
83.7 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
165.5 kB
OUTCAR
18.1 MB
PCDAT
234 Bytes
POSCAR
4.3 kB
POTCAR
795.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
408.8 kB
vaspout.h5
1.7 MB
vasprun.xml
2.3 MB
Ti3C2F2
10DA
0_2
CHG
210.8 MB
CHGCAR
45.4 MB
CONTCAR
11.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
65.2 kB
OUTCAR
10.3 MB
PCDAT
234 Bytes
POSCAR
5.6 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
232.8 kB
vaspout.h5
1.7 MB
vasprun.xml
1.3 MB
0_4
CHG
692.6 MB
CHGCAR
45.4 MB
CONTCAR
11.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
195.8 kB
OUTCAR
34.6 MB
PCDAT
234 Bytes
POSCAR
5.6 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
800.2 kB
vaspout.h5
2.7 MB
vasprun.xml
3.8 MB
0_6
CHG
30.1 MB
CHGCAR
45.4 MB
CONTCAR
11.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
7.5 kB
OUTCAR
1.0 MB
PCDAT
234 Bytes
POSCAR
5.6 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
21.4 kB
vaspout.h5
1.7 MB
vasprun.xml
329.1 kB
SAM
CHG
481.8 MB
CHGCAR
45.3 MB
CONTCAR
8.2 kB
DOSCAR
43.5 kB
EIGENVAL
71.9 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
122.8 kB
OUTCAR
15.8 MB
PCDAT
234 Bytes
POSCAR
3.9 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
386.4 kB
vaspout.h5
1.9 MB
vasprun.xml
2.1 MB
initial
CHG
331.2 MB
CHGCAR
45.4 MB
CONTCAR
11.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
93.5 kB
OUTCAR
15.8 MB
PCDAT
234 Bytes
POSCAR
5.6 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
363.2 kB
vaspout.h5
2.2 MB
vasprun.xml
1.9 MB
6DA
0_2
CHG
203.2 MB
CHGCAR
51.0 MB
CONTCAR
10.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
51.0 kB
OUTCAR
7.4 MB
PCDAT
234 Bytes
POSCAR
4.9 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
159.8 kB
vaspout.h5
1.6 MB
vasprun.xml
970.9 kB
0_4
CHG
33.9 MB
CHGCAR
51.0 MB
CONTCAR
10.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
10.7 kB
OUTCAR
1.5 MB
PCDAT
234 Bytes
POSCAR
4.9 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
30.9 kB
vaspout.h5
1.6 MB
vasprun.xml
360.6 kB
0_6
CHG
101.6 MB
CHGCAR
51.0 MB
CONTCAR
10.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
20.6 kB
OUTCAR
3.1 MB
PCDAT
234 Bytes
POSCAR
4.9 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
67.7 kB
vaspout.h5
1.6 MB
vasprun.xml
530.0 kB
SAM
CHG
338.8 MB
CHGCAR
34.0 MB
CONTCAR
6.8 kB
DOSCAR
43.5 kB
EIGENVAL
60.0 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
112.7 kB
OUTCAR
12.5 MB
PCDAT
234 Bytes
POSCAR
3.2 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
286.8 kB
vaspout.h5
1.7 MB
vasprun.xml
1.7 MB
initial
CHG
33.9 MB
CHGCAR
51.0 MB
CONTCAR
10.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
853 Bytes
KPOINTS
29 Bytes
OSZICAR
7.0 kB
OUTCAR
813.6 kB
PCDAT
234 Bytes
POSCAR
4.9 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
15.6 kB
vaspout.h5
1.6 MB
vasprun.xml
291.1 kB
8DA
0_2
CHG
90.3 MB
CHGCAR
45.4 MB
CONTCAR
10.9 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
18.9 kB
OUTCAR
3.0 MB
PCDAT
234 Bytes
POSCAR
5.2 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
69.4 kB
vaspout.h5
1.6 MB
vasprun.xml
531.3 kB
0_4
CHG
240.9 MB
CHGCAR
45.4 MB
CONTCAR
10.9 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
71.4 kB
OUTCAR
10.9 MB
PCDAT
234 Bytes
POSCAR
5.2 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
254.0 kB
vaspout.h5
1.6 MB
vasprun.xml
1.4 MB
SAM
CHG
421.6 MB
CHGCAR
45.3 MB
CONTCAR
7.5 kB
DOSCAR
43.5 kB
EIGENVAL
71.9 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
111.6 kB
OUTCAR
13.8 MB
PCDAT
234 Bytes
POSCAR
3.6 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
308.2 kB
vaspout.h5
1.8 MB
vasprun.xml
1.7 MB
initial
CHG
481.8 MB
CHGCAR
45.4 MB
CONTCAR
10.9 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
851 Bytes
KPOINTS
29 Bytes
OSZICAR
157.5 kB
OUTCAR
22.5 MB
PCDAT
234 Bytes
POSCAR
5.2 kB
POTCAR
997.2 kB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
517.7 kB
vaspout.h5
2.1 MB
vasprun.xml
2.6 MB
Ti3C2FOH
10DA
0_2
CHG
40.1 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
12.3 kB
OUTCAR
1.2 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
23.2 kB
vaspout.h5
1.9 MB
vasprun.xml
352.7 kB
0_4
CHG
281.0 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
111.8 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
60.6 kB
OUTCAR
9.5 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
241.4 kB
vaspout.h5
1.9 MB
vasprun.xml
1.3 MB
0_6
CHG
80.3 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
111.8 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
18.4 kB
OUTCAR
2.5 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
61.5 kB
vaspout.h5
1.9 MB
vasprun.xml
505.5 kB
0_8
CHG
240.9 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
111.8 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
51.6 kB
OUTCAR
7.9 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
199.3 kB
vaspout.h5
1.9 MB
vasprun.xml
1.1 MB
1_0
CHG
240.9 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
111.8 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
55.2 kB
OUTCAR
8.5 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
214.6 kB
vaspout.h5
1.9 MB
vasprun.xml
1.2 MB
SAM
CHG
271.0 MB
CHGCAR
40.8 MB
CONTCAR
8.7 kB
DOSCAR
43.5 kB
EIGENVAL
71.9 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
80.0 kB
OUTCAR
10.0 MB
PCDAT
234 Bytes
POSCAR
4.2 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
253.6 kB
vaspout.h5
1.8 MB
vasprun.xml
1.4 MB
initial
CHG
401.5 MB
CHGCAR
60.5 MB
CONTCAR
12.6 kB
DOSCAR
43.5 kB
EIGENVAL
119.2 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
86.6 kB
OUTCAR
14.4 MB
PCDAT
234 Bytes
POSCAR
6.0 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
352.4 kB
vaspout.h5
1.9 MB
vasprun.xml
1.8 MB
6DA
0_2
CHG
162.6 MB
CHGCAR
40.8 MB
CONTCAR
11.2 kB
DOSCAR
43.5 kB
EIGENVAL
107.4 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
53.8 kB
OUTCAR
8.4 MB
PCDAT
234 Bytes
POSCAR
5.3 kB
POTCAR
1.2 MB
REPORT
0 Bytes
WAVECAR
0 Bytes
XDATCAR
199.2 kB
vaspout.h5
1.9 MB
vasprun.xml
1.1 MB
0_4
CHG
81.3 MB
CHGCAR
40.8 MB
CONTCAR
11.2 kB
DOSCAR
43.5 kB
EIGENVAL
105.2 kB
IBZKPT
807 Bytes
INCAR
852 Bytes
KPOINTS
29 Bytes
OSZICAR
19.6 kB
OUTCAR
3.0 MB
PCDAT
234 Bytes
POSCAR
5.3 kB
POTCAR
1.2 MB
REPORT
0 Bytes