[Pw_forum] Volume in a supercell

Dimpy Sharma dimpy.sharma at tyndall.ie
Fri Jul 31 22:20:54 CEST 2009


Hi Quantum espresso user,

I would like to know how do we fix the cell parameters for a supercell while running any calculation with quantum espresso as from the manual it has been mentioned about lattice vector which is not making it clear ?

How shall we relate the lattice parameter with the volume added in order to avoid any overlapping?

Thanks

Dimpy
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