[CPMD-list] oxygen and graphite

[Natasa Mateljevic]

Dear List,
when I dotn specify the multiplicity of oxygen or LSD on graphite, after 
geometry optimization oxygen moves. If I use triplet oxygen and LSD, 
oxygen stays in the same place after geometry optimization. I am using 8 
carbon atoms to specigy my unit cell. Here is a sample input, any 
suggestions on LSD oe on this input. 
&CPMD
   OPTIMIZE GEOMETRY
   STRUCTURE BONDS ANGLES
&END
&SYSTEM
  CELL VECTORS
       9.29640   0.0  0.0,       4.64820     8.05092  0.0,     0.0     0.0    
1$
  CUTOFF
   25.
  TESR 
   4
&END
&DFT
  FUNCTIONAL PBE
  GC-CUTOFF
  1.0D-7
&END
&ATOMS
*006-C-gpbe--bm.uspp  BINARY NEWF
       8
    2.32410    0.00000    0.00000
    0.00000    1.34182    0.00000
    4.64820    4.02546    0.00000
    2.32410    5.36728    0.00000
    6.97230    0.00000    0.00000
    4.64820    1.34182    0.00000
    9.29640    4.02546    0.00000
    6.97230    5.36728    0.00000
*008-O-gpbe--bm.uspp  BINARY NEWF
 LMAX=P 
     1
    3.00000   4.000000    5.00000
&END

Thanks for any advice,
Natasa