[Wannier] Unable to satisfy B1 with any of the first 12, 24, 36 and 48 shells

Egon Campos egoncs at gmail.com
Sun Jul 17 17:59:46 CEST 2016


Dear all,

I'm running a simmulation of a system with 5, 5 and 25 angstrom size
and with a 4x4x4 uniforme k-points meshes. When the program starts
the error "Unable to satisfy B1 with any of the first 12 shells" is found.

I tryed to use "search_shells" with 12, 24, 36, and 48 shells and it is not
working. Could someone help me in what I can do next to solve this problem?

Thank you,
Egon
Minas Gerais University
Brazil
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