vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2026 02 01
19:42:26
No title
0
Normal
Normal (blocked Davidson)
F
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200
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23
5
ion
element
atomtype
O 1
Si 2
Si 2
C 3
C 3
C 3
C 3
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
N 5
type
atomspertype
element
mass
valence
pseudopotential
1O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
2Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
4C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
15H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
1N 14.00100000 5.00000000 PAW_PBE N 08Apr2002
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0.04091882 0.51069241 0.71315315
0.38976919 0.03052547 0.92932686
0.46375100 0.03073258 0.45314651
0.52127731 0.72605849 0.84142745
0.15872316 0.94246044 0.21645118
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