[CPMD-list] cant run Vanderbilt PPs

[Natasa Mateljevic]

Hi,
I have compiled the new version od CPMD, so that I can use the Vanderbilt 
PPs, and this is what part of my input file looks like (graphite + oxygen 
), so I am adding what you suggested:
&CPMD 
   OPTIMIZE GEOMETRY
   LSD <---- 
   STRUCTURE BONDS ANGLES DIHEDRALS
&END
&SYSTEM
  CELL VECTORS
      18.57084   0.0  0.0,       9.28542    16.08282  0.0,     0.0     0.0
20.00000
  CUTOFF
   25.<-----
  TESR   
   4   
&END
&DFT
  FUNCTIONAL PBE <-----
  GC-CUTOFF
  1.0D-7
&END
&ATOMS  
*006-C-gpbe--bm.uspp NEWF BINARY <-----
    0 0 0 <-----
 LMAX=P
      32
    2.32136    0.00000    0.00000
    0.00000    1.34023    0.00000
    5.98294    2.68046    0.00000
    2.32136    5.36094    0.00000
    6.96406    8.04141    0.00000
I am using the same input for oxygen but this is not working I get the 
following error when I do:  cpmd.x surface2o ~/Vanderbilt/uspp-734/Pot > 
surface2o.out
EXCHANGE CORRELATION FUNCTIONALS
    LDA EXCHANGE:                                            NONE
    LDA XC THROUGH PADE APPROXIMATION
    S.GOEDECKER, J.HUTTER, M.TETER PRB 54 1703 (1996)
    GRADIENT CORRECTED FUNCTIONAL
    DENSITY THRESHOLD:                                1.00000E-07
    EXCHANGE ENERGY
       [PBE: J.P. PERDEW ET AL. PRL 77, 3865 (1996)]
    CORRELATION ENERGY
       [PBE: J.P. PERDEW ET AL. PRL 77, 3865 (1996)]

  RATOM: ERROR WHILE READING ON UNIT            5

 PROGRAM STOPS IN SUBROUTINE DETSP|
 
I am not sure what is wrong wiht this and how I can fix it.
Thanks for your advice.
Natasa