[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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