[Pw_forum] Geometry Optimization

[MAHASIN ALAM]

Dear Friends,
 
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.
 
Regards
 
Mahasin


      
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