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Q: How can I perform a cell shape relaxation in a specified direction using VASP?

Jaafar MehrezAccording to VASP manual, the ISIF tag determines whether the stress tensor is calculated and which ionic degrees of freedom are varied. Suppose that I want to relax the cell shape in specific direction (x, y, or z) and keep it fixed in the other two directions, is it possible to do that in VASP?...

 
 
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5:51 PM
Saving Sloshy some work.
 

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