[Wannier] The criteria of the converged spread
王舒东
sd.wang000 at 163.com
Mon Jan 2 09:37:35 CET 2017
Dear all,
I am a new user of wanner90. I want to konw what is the the criteria of the converged spread? Or how much the spread reached that we could say it converged. For example, if we have N atoms in a big cell, and every atom has one spread, and the final spread is sum of the N spread for every atom. My question is: th criteria is the final spread must be smaller than a
4 agntrum or each spread of the N atoms smaller than 4?
Thanks!
SD Wang
IMU, Hohhot, China
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