vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2025 01 14
22:38:44
No title
1
Normal
Normal (blocked Davidson)
T
1
0
1
100
5
-1
0.00000010
-0.02000000
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2
1
520.00000000
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1
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10
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28
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31
32
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No title
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--
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F
40
3
ion
element
atomtype
H 1
H 1
H 1
H 1
H 1
H 1
C 2
C 2
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
Pt 3
type
atomspertype
element
mass
valence
pseudopotential
6H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
2C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
32Pt 195.08000000 10.00000000 PAW_PBE Pt 04Feb2005
11.04760000 0.00000000 0.00000000
-5.52380000 9.56750225 0.00000000
0.00000000 0.00000000 23.50500000
2484.43002933
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