[CPMD-list] err_reading_input_file

Zak b.zarychta at phys.keele.ac.uk
Mon Jan 27 11:03:18 CET 2003


Dear group,

recently I have successfully compiled the CPMD vers 3.5 on a PIII PC using 
intel FC vers 6.0. however whilst testing the code using the following input 
file:
##########################################################
!    Wavefunction optimisation using default setting
!
 &CPMD
   OPTIMIZE WAVEFUNCTION
 &END
 &SYSTEM
   SYMMETRY
    1
   CELL
    10.2612 1.0 1.0  0.0 0.0 0.0
   CUTOFF
   13.
 &END
 &ATOMS
*SI_SGS  KLEINMAN-BYLANDER
  LMAX=P
   8
         0.00000    0.00000    0.00000   1
         0.00000    5.13000    5.13000   1
         5.13000    0.00000    5.13000   1
         5.13000    5.13000    0.00000   1
         2.56500    2.56500    2.56500   1
         2.56500    7.69500    7.69500   1
         7.69500    2.56500    7.69500   1
         7.69500    7.69500    2.56500   1
 &END
#####################################################
I get the following error:

 ERROR READING THE SYMMETRY NUMBER
  SYSIN: ERROR IN READING INPUT FILE

 PROGRAM STOPS IN SUBROUTINE SYSIN| 

might there have been a problem with the compilation ? or is there another 
possible cause, my own stupidity not withstanding ! 

as ever all help is greatly appreciated.

Zak




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