[CPMD-list] HINTS

[abdenour sabir]

Dear all

Could anyone tell me what is missing in the Atoms section. The code just 
stops after getting through the pseudo-potential info.Thank you.

A.Sabir

HERE IS A PORTION OF THE INPUT FILE:

&ATOMS
*C_SGS
    LMAX=P
     18
        0.00000    0.00000    0.00000
        2.32531    1.34252    0.00000
        4.65062    0.00000    0.00000
        6.97592    1.34252    0.00000
        9.30123    0.00000    0.00000
       11.62654    1.34252    0.00000
        2.32531    4.02755    0.00000
        4.65062    5.37007    0.00000
        6.97592    4.02755    0.00000
        9.30123    5.37007    0.00000
       11.62654    4.02755    0.00000
       13.95185    5.37007    0.00000
        4.65062    8.05510    0.00000
        6.97592    9.39762    0.00000
        9.30123    8.05510    0.00000
       11.62654    9.39762    0.00000
       13.95185    8.05510    0.00000
       16.27716    9.39762    0.00000

*LI_SGS
   LMAX=P
    2
        3.32531    1.34252    3.00000
        4.05062    0.00000    3.00000
&END

THIS IS THE ERROR MESSAGE I GET AT THE END OF THE OUTPUT:

***    WFOPTS| THE NEW SIZE OF THE PROGRAM IS  3940 KBytes ***
RV30! NUMBER OF SPECIES HAS CHANGED                       1    2
RV30! INCONSISTENT NUMBER OF ATOMS.
RV30| WARNING! CANNOT READ COORDINATES FROM SECTION 4
RV30| WARNING! NO INITIAL GEOMETRY
RV30! CUTOFF HAS CHANGED                         18.00     13.00
RV30! NUMBER OF ELECTRONS HAS CHANGED                    72   74
RV30! X REAL SPACE MESH  HAS CHANGED                     40   36
RV30! Y REAL SPACE MESH  HAS CHANGED                     40   36
RV30! Z REAL SPACE MESH  HAS CHANGED                     18   16
RV30! NUMBER OF STATES   HAS CHANGED                     46   47


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