[Pw_forum] electron phonon coupling of supercells
luch001
luch001 at 126.com
Sun Oct 15 16:53:32 CEST 2006
Dear all,
Maybe I have not illustrate problem clearly.
I want to perform EPC calculation on a supercell.
Take NaCl as a example, I construct a 2*2*2 supercell
in the unit of primitive cell, whose space group is P1
with the lowest symmetry. We all know that the EPC
is a much time consuming process. Introducing symmetry
operation to the system can speed the calculation greatly.
My question is how can I introduce symmetry to the supercell I mentioned above in the precondition of obtaining physical results.
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