[CPMD-list] question about charge and cell dimension

[sanjeev narooka]

hi All cpmd user,

i have some questions

in cpmd input should we define the charge on each and
every atoms as it was in system specification part of
moldy reference input(see Axel web page)

and one more, when we define cell dimension in
cpmd-input file something like as

CELL
  8.00 1.0 1.0  0.0  0.0  0.0

then its output shows the cell dimension which is same
as

CELL DIMENSION:  15.1178  1.0000  1.0000  0.0000 
0.0000  0.0000

why it does not show the same cell dimension as it was
defined in input file


thanks
sanjeev

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