[Wannier] kmesh_get_bvector: Not enough bvectors found

dwz dwz4587 at 163.com
Tue Mar 11 01:06:38 CET 2014


Dear wannier experts:
When trying to run wannier90 lib mode together with VASP, the wannier.wout reported such erorr -“ kmesh_get_bvector: Not enough bvectors found.”
It seems that wannier90 fail to find enough b-vectors for the shells defined (I chosed a default = 12). Then I improved the search_shells to 100, but same error appearred.The k-grid is 7*7*1 Monckhorst_Pack.
Should I change the search_shell to higher values untill no error appears ? Or should I handle other things ? 


Any response will be appreciated.
Yours.




Wenzheng Dong
Shandong University
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