vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2025 11 13
20:14:35
No title
0
Normal
Normal (blocked Davidson)
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No title
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83
5
ion
element
atomtype
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
O 1
C 2
C 2
C 2
C 2
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
Si 3
B 4
B 4
B 4
H 5
H 5
H 5
H 5
H 5
H 5
H 5
H 5
H 5
H 5
H 5
type
atomspertype
element
mass
valence
pseudopotential
44O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
4C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
21Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
3B 10.81100000 3.00000000 PAW_PBE B 06Sep2000
11H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
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