vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 05 14
00:14:43
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
1
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
F
F
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3
-1
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T
T
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--
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F
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
0.00000000 0.21109204 0.00000000
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0.00901777 0.41759182 0.02629299
0.35280767 0.14314700 0.74590960
0.22579960 0.98653994 0.51064228
0.06331311 0.42465632 0.64172150
0.91083596 0.42109555 0.65992169
0.87560962 0.97555411 0.80041368
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0.50828863 0.07512611 0.97799576
0.18886794 0.39368926 0.17818373
0.32349881 0.74672982 0.54532210
0.72134168 0.88535851 0.28219422
0.38924965 0.22588355 0.44879092
0.79567288 0.27866132 0.26431469
0.94371261 0.71623111 0.79603498
0.64538395 0.41121665 0.40724933
0.44782229 0.80058350 0.24065986
0.74536024 0.18644998 0.45234013
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0.78050421 0.56564408 0.74259787
0.19823990 0.10487152 0.58242782
0.35933321 0.21572172 0.14604387
333.57168661
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1111.46566335
1111.47511749
1059.06122480
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