vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 05 13
23:46:19
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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0.08394361 0.51786757 0.16881063
0.91046871 0.40602234 0.92196652
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0.30769837 0.02915986 0.18274767
0.09354108 0.31625501 0.83462364
0.58780245 0.03449520 0.31529038
0.73163910 0.66354100 0.59513997
0.37458553 0.82245314 0.86542946
0.30889276 0.87585148 0.28692020
0.53427236 0.08348021 0.67163229
0.78580524 0.83851964 0.88641265
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0.07165478 0.31406148 0.17326322
0.67613182 0.05661061 0.48202087
0.04617410 0.77811651 0.78633772
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