<br>Dear Paolo,<br><br>Thanks a lot for your reply. If I am not wrong, I think, I am using the CVS VERSION.<br>The part of the program follows here:<br> CASE ( 'all', 'default' )<br> iforceh = 1<br>
CASE ( 'shape' )<br> iforceh = 1<br> fix_volume = .true.<br> CASE ( 'volume' )<br> CALL errore(' init_dofree ', &<br> ' cell_dofree = '//TRIM(cell_dofree)//' not yet implemented ', 1 )<br>
CASE ('x')<br> iforceh = 0<br> iforceh(1,1) = 1<br><br>I am not sure that CASE('shape') does the same thing I WANTED. And it is written that <br>CASE ( 'volume' ) is not yet implemented. So, is there any other version that you mentioned ?<br>
<br>regards,<br>Saha S. K. <br>JNCASR, <br>Bangalore<br><br><br><div class="gmail_quote">On Thu, Nov 25, 2010 at 2:30 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div class="im">S. K. S. wrote:<br>
<br>
> Is there any option in PWSCF which allow to move<br>
> x, y and z axis, keeping volume unchanged ???<br>
<br>
</div>yes, but only in the development (cvs) version<br>
<br>
P.<br><br></blockquote></div><br>