[Wannier] memory usage increase with iteration of wannierising

Haowei Peng haoweipeng at gmail.com
Fri Jun 21 22:59:42 CEST 2013


I found that the memory usage increases with the iteration of wannierising.
I already tried the keywork "optimisation = 0", which does not help.
If the num_iter is quite large and convergence is not good, this will lead
to crash in the end.
Can this be avoided?

Thanks a lot,

Haowei Peng

National Renewable Energy Laboratory
15013 Denver West Pkwy
Golden, CO 80401
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