[Wien] K-Points determination

Tyson, Trevor Tyson at ADM.NJIT.EDU
Fri Mar 4 16:28:23 CET 2005


Dear Users:
   Can someone tell me how to estimate the number of k-points needed for a calculation.  For example, if I am using a 2 x 2 x 2 supercell for Si with 64 atoms in the cell, how many k-points must I use to recover the accuracy obtained for the simple Si cell (with a given number of k-points)?   Thanks in advance.
Trevor




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