[Pw_forum] cell_dofree

[Srijan Kumar Saha]

Dear Paolo,

Thanks a lot for your reply. If I am not wrong, I think, I am using the CVS
VERSION.
The part of the program follows here:
            CASE ( 'all', 'default' )
              iforceh = 1
            CASE ( 'shape' )
              iforceh = 1
              fix_volume = .true.
            CASE ( 'volume' )
              CALL errore(' init_dofree ', &
                 ' cell_dofree = '//TRIM(cell_dofree)//' not yet implemented
', 1 )
            CASE ('x')
              iforceh      = 0
              iforceh(1,1) = 1

I am not sure that CASE('shape') does the same thing I WANTED. And it is
written that
CASE ( 'volume' ) is not yet implemented. So, is there any other version
that you mentioned ?

regards,
Saha S. K.
JNCASR,
Bangalore


On Thu, Nov 25, 2010 at 2:30 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> S. K. S. wrote:
>
> > Is there any option in PWSCF which allow to move
> > x, y and z axis, keeping volume unchanged ???
>
> yes, but only in the development (cvs) version
>
> P.
>
>
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