vasp
6.3.1
04May22 (build Jun 24 2022 14:24:36) complex parallel
Lin64
2022 09 30
05:26:43
1
0
Accurate
Fast (Davidson and RMM-DIIS)
T
2
2
1
100
2
-1
0.00001000
-0.01000000
0
2
0
1
400.00000000
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F
1
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F
F
F
PE
1
T
4
12
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1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
7 7 1
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F
accura
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F
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1
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72
192
144
144
384
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F
F
F
F
F
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8
4
-1
T
F
F
F
F
F
3
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T
F
0
F
0
PE
1
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F
F
F
F
F
F
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F
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F
F
70
4
ion
element
atomtype
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
Pt 1
S 2
H 3
H 3
O 4
O 4
O 4
type
atomspertype
element
mass
valence
pseudopotential
64Pt 195.08000000 10.00000000 PAW_PBE Pt 04Feb2005
1S 32.06600000 6.00000000 PAW_PBE S 06Sep2000
2H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
3O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
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