<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Dear Friends,</DIV>
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<DIV>For geometry opimization in PWSCF (QE) it mentioned in the manual that we have to set calculation = 'relax'. If I set it, it will only relax the ions. But if I have a system with vacuum cell and if I need to relax the ions as well as vacuum cell, can I do it using PWSCF? If yes can any one tell me what I have to set in calculation type? Thank you for your help.</DIV>
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<DIV>Regards</DIV>
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<DIV>Mahasin</DIV></td></tr></table><br>