vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2023 08 19
17:42:36
No title
0
Normal
Normal (blocked Davidson)
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48
4
ion
element
atomtype
Sn 1
Sn 1
Sn 1
Sn 1
Sn 1
Sn 1
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
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
C 3
C 3
C 3
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
type
atomspertype
element
mass
valence
pseudopotential
12Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000
25O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
3C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
8H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
9.47454000 0.00000000 0.00000000
0.00000000 4.73727000 0.00000000
0.00000000 0.00000000 18.37276000
824.63293026
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