[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090731/b1dfc3e7/attachment.html>


More information about the users mailing list