vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 05 14
00:03:20
No title
0
Normal
Normal (blocked Davidson)
F
1
2
1
240
2
-1
0.00001000
-0.02000000
0
2
1
400.00000000
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Auto
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0.20000000
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1
2
3
4
5
6
7
8
9
10
11
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14
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16
17
18
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20
21
22
3 3 1
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No title
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6
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--
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F
22
3
ion
element
atomtype
Sn 1
Sn 1
Sn 1
Sn 1
Sn 1
Sn 1
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
H 3
H 3
type
atomspertype
element
mass
valence
pseudopotential
6Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000
14O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
2H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
4.73727000 0.00000000 0.00000000
0.00000000 4.73727000 0.00000000
0.00000000 0.00000000 18.37276000
412.31646513
0.21109204 0.00000000 0.00000000
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0.42902818 0.16717762 0.75724479
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0.03321847 0.25218220 0.29016760
0.02362682 0.15890219 0.94621503
0.24604474 0.71615173 0.94979868
0.15766571 0.78690297 0.85220140
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0.53690011 0.29944231 0.11459377
0.99279234 0.02366172 0.09573378
0.44182338 0.02679355 0.69211469
0.97906379 0.07915759 0.66858846
333.57168661
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