[Wannier] Problems in choosing disentanglement windows.

[Elio Physics]

Dear all,


I am trying to obtain the band structure of a system of 42 C atoms. The bands are intercalated and have a complicated form and I am not being able to choose the disentanglement windows. The code is stopping with an error:  "Bands less than the number specified in the input file" and whn i increase the bands, the bands become bigger in number than the number specified in the input and the code complains again. is there a criteria to avoid this. How to choose those windows in such a case.


OBS: the projection i am using is pz so there has to be 42 wannier functions.


Thanks in advance


Elio

University of Rond.

porto velho

Brazil
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