[Wannier] about partially occupied bands

gaojin gaojin06 at 163.com
Sun Jan 12 03:01:44 CET 2014

Dear Wannier users,

I am studying electronic polarization using Wannier function centers. In the case of partially occupied bands entangled with empty bands, should i disentangle the partially filled bands from the empty bands and multiply the obtained Wannier function centers by 1 not by 2?



Xi'an Jiao Tong universtiy 
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