vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 05 13
22:52:30
No title
0
Normal
Normal (blocked Davidson)
F
1
2
1
240
2
-1
0.00001000
-0.02000000
0
2
1
400.00000000
1.41000000 0.73000000 0.32000000
Auto
1
0.20000000
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F
F
1
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412.31646513
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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
3 3 1
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No title
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normal
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6
4
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T
F
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3
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T
T
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--
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F
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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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0.20344428 0.86121246 0.66800526
0.95985541 0.45255243 0.12701670
0.43775943 0.37989374 0.07305730
0.94138288 0.12560273 0.02042467
0.51983914 0.20712933 0.33453010
0.85037092 0.08298366 0.00914907
0.05129674 0.71991435 0.04833976
0.68217836 0.96183807 0.71125985
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0.40710667 0.52473630 0.26795504
0.27216364 0.52476778 0.59827956
0.87462784 0.45602810 0.28717350
333.57168661
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