MSR_DFT_data.zip
MSR_DFT_data
KPOINTS
58 Bytes
README.txt
737 Bytes
figureS1
CONTCAR
8.5 kB
INCAR
2.0 kB
KPOINTS
58 Bytes
OSZICAR
199.8 kB
OUTCAR
24.4 MB
figureS10
R6
FS
CONTCAR
8.6 kB
INCAR
2.1 kB
OSZICAR
104.4 kB
OUTCAR
8.4 MB
IS
CONTCAR
8.6 kB
INCAR
2.1 kB
OSZICAR
162.6 kB
OUTCAR
12.2 MB
TS
CONTCAR
8.6 kB
INCAR
2.2 kB
OSZICAR
110.6 kB
OUTCAR
12.2 MB
R7
FS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
551.4 kB
OUTCAR
44.1 MB
IS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
330.2 kB
OUTCAR
24.3 MB
TS
CONTCAR
8.8 kB
INCAR
2.2 kB
OSZICAR
219.4 kB
OUTCAR
16.2 MB
R8
FS
CONTCAR
9.0 kB
INCAR
2.1 kB
OSZICAR
492.0 kB
OUTCAR
42.1 MB
IS
CONTCAR
9.0 kB
INCAR
2.1 kB
OSZICAR
63.2 kB
OUTCAR
3.1 MB
TS
CONTCAR
9.0 kB
INCAR
2.2 kB
OSZICAR
169.1 kB
OUTCAR
15.2 MB
R9
FS
CONTCAR
9.0 kB
INCAR
2.1 kB
OSZICAR
568.5 kB
OUTCAR
62.3 MB
IS
CONTCAR
9.0 kB
INCAR
2.1 kB
OSZICAR
492.0 kB
OUTCAR
42.1 MB
TS
CONTCAR
9.0 kB
INCAR
2.2 kB
OSZICAR
129.5 kB
OUTCAR
16.8 MB
figureS11
R10
FS
CONTCAR
9.5 kB
INCAR
2.1 kB
OSZICAR
59.3 kB
OUTCAR
2.2 MB
IS
CONTCAR
9.5 kB
INCAR
2.1 kB
OSZICAR
127.1 kB
OUTCAR
12.4 MB
TS
CONTCAR
9.5 kB
INCAR
2.2 kB
OSZICAR
119.8 kB
OUTCAR
12.2 MB
R11
FS
CONTCAR
9.3 kB
INCAR
2.1 kB
OSZICAR
136.1 kB
OUTCAR
17.4 MB
IS
CONTCAR
9.3 kB
INCAR
2.1 kB
OSZICAR
413.9 kB
OUTCAR
53.0 MB
TS
CONTCAR
9.3 kB
INCAR
2.2 kB
OSZICAR
240.0 kB
OUTCAR
27.0 MB
R12
FS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
190.9 kB
OUTCAR
15.0 MB
IS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
84.3 kB
OUTCAR
3.0 MB
TS
CONTCAR
9.1 kB
INCAR
2.2 kB
OSZICAR
173.8 kB
OUTCAR
22.7 MB
figureS12
panel1
FS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
448.5 kB
OUTCAR
41.9 MB
IS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
268.7 kB
OUTCAR
20.2 MB
TS
CONTCAR
8.8 kB
INCAR
2.2 kB
OSZICAR
337.7 kB
OUTCAR
25.4 MB
panel2
FS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
343.8 kB
OUTCAR
30.0 MB
IS
CONTCAR
8.8 kB
INCAR
2.1 kB
OSZICAR
144.2 kB
OUTCAR
11.1 MB
TS
CONTCAR
8.8 kB
INCAR
2.2 kB
OSZICAR
91.5 kB
OUTCAR
8.1 MB
panel3
FS
CONTCAR
9.2 kB
INCAR
2.1 kB
OSZICAR
329.2 kB
OUTCAR
40.5 MB
IS
CONTCAR
9.2 kB
INCAR
2.1 kB
OSZICAR
150.0 kB
OUTCAR
22.7 MB
TS
CONTCAR
9.2 kB
INCAR
2.2 kB
OSZICAR
392.1 kB
OUTCAR
47.5 MB
panel4
FS
CONTCAR
9.2 kB
INCAR
2.1 kB
OSZICAR
46.6 kB
OUTCAR
2.4 MB
IS
CONTCAR
9.2 kB
INCAR
2.1 kB
OSZICAR
329.2 kB
OUTCAR
40.5 MB
TS
CONTCAR
9.2 kB
INCAR
2.2 kB
OSZICAR
77.6 kB
OUTCAR
7.4 MB
figureS7
R2
FS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
189.7 kB
OUTCAR
32.1 MB
IS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
39.9 kB
OUTCAR
2.5 MB
TS
CONTCAR
9.1 kB
INCAR
2.2 kB
OSZICAR
49.5 kB
OUTCAR
1.3 MB
R3
FS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
214.6 kB
OUTCAR
14.9 MB
IS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
143.2 kB
OUTCAR
9.3 MB
TS
CONTCAR
9.1 kB
INCAR
2.2 kB
OSZICAR
131.0 kB
OUTCAR
9.0 MB
R4
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
154.5 kB
OUTCAR
11.5 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
92.2 kB
OUTCAR
7.6 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
185.3 kB
OUTCAR
19.9 MB
R5
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
182.8 kB
OUTCAR
14.8 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
154.5 kB
OUTCAR
11.5 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
44.5 kB
OUTCAR
1.7 MB
figureS8
R2
FS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
250.2 kB
OUTCAR
24.2 MB
IS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
211.7 kB
OUTCAR
28.8 MB
TS
CONTCAR
9.1 kB
INCAR
2.2 kB
OSZICAR
172.3 kB
OUTCAR
19.5 MB
R3
FS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
267.1 kB
OUTCAR
22.7 MB
IS
CONTCAR
9.1 kB
INCAR
2.1 kB
OSZICAR
120.6 kB
OUTCAR
12.7 MB
TS
CONTCAR
9.1 kB
INCAR
2.2 kB
OSZICAR
63.3 kB
OUTCAR
4.7 MB
R4
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
174.4 kB
OUTCAR
12.0 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
415.9 kB
OUTCAR
35.7 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
280.8 kB
OUTCAR
49.4 MB
R5
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
560.2 kB
OUTCAR
44.7 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
174.4 kB
OUTCAR
12.0 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
90.2 kB
OUTCAR
2.0 MB
carbon_migration
FS
CONTCAR
8.6 kB
INCAR
2.1 kB
OSZICAR
216.0 kB
OUTCAR
15.8 MB
IS
CONTCAR
8.6 kB
INCAR
2.1 kB
OSZICAR
469.1 kB
OUTCAR
36.3 MB
TS
CONTCAR
8.6 kB
INCAR
2.2 kB
OSZICAR
83.0 kB
OUTCAR
8.4 MB
figureS9
panel1
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
191.4 kB
OUTCAR
18.7 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
123.4 kB
OUTCAR
13.6 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
190.9 kB
OUTCAR
32.9 MB
panel2
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
408.3 kB
OUTCAR
50.9 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
191.4 kB
OUTCAR
18.7 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
126.5 kB
OUTCAR
17.4 MB
panel3
FS
CONTCAR
8.5 kB
INCAR
2.0 kB
OSZICAR
128.1 kB
OUTCAR
9.0 MB
IS
CONTCAR
8.5 kB
INCAR
2.0 kB
OSZICAR
199.8 kB
OUTCAR
24.4 MB
TS
CONTCAR
8.5 kB
INCAR
2.2 kB
OSZICAR
39.1 kB
OUTCAR
934.2 kB
panel4
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
202.4 kB
OUTCAR
16.2 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
474.7 kB
OUTCAR
40.4 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
125.4 kB
OUTCAR
10.2 MB
panel5
FS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
182.7 kB
OUTCAR
16.3 MB
IS
CONTCAR
8.9 kB
INCAR
2.1 kB
OSZICAR
474.7 kB
OUTCAR
40.4 MB
TS
CONTCAR
8.9 kB
INCAR
2.2 kB
OSZICAR
425.9 kB
OUTCAR
51.9 MB