[Wannier] Error reading .eig file

[Gibertini Marco]

Dear Sharma,

please check again your input file. You are telling Wannier to deal with 
34 bands (num_bands=34) but in your .eig file there are actually 92 bands!
As the warning message suggests, 'If your pseudopotentials have shallow 
core states remember to account for these electrons' and so you might 
want to exclude some low-lying bands.

Kind regards,
Marco Gibertini

-- 
****
Marco Gibertini
****************************************
Post-doctoral Research Scientist
Theory and Simulation of Materials
École Polytechnique Fédérale de Lausanne



On 02/03/2015 05:58 AM, SRKC Sharma Yamijala wrote:
>
> baruo3.eig 
> <https://docs.google.com/file/d/0B7l7TJgy0hzhRk81aXp2a0QyOVE/edit?usp=drive_web>
>
> Dear Wannier developer,
>
> Wannier90 is complaining against reading the .eig file. I couldn't 
> find any mistake in my calculation. Even I have added spaces between 
> columns in the eig file but couldn't find any reason for the error. 
> Could you please help me in this regard.
>
> Below I have given the error and I have attached input and *.eig files 
> for your reference. If needed please let me know, I will try to upload 
> the *.amn and *mmn files (mmn is ~ 4 GB, and hence, not attached here. 
> I can keep it in Gdrive if needed).
>
>  Wannier90: Execution started on  2Feb2015 at 21:19:39
> Found a mismatch in baruo3.eig
> Wanted band  : 1 found band  : 35
> Wanted kpoint: 2 found kpoint: 1
> A common cause of this error is using the wrong
> number of bands. Check your input files.
> If your pseudopotentials have shallow core states remember
> to account for these electrons.
>  Exiting.......
>  param_read: mismatch in baruo3.eig
>
> Thanking you,
> Sincerely,
> Sharma.
>
>
>
>
>
>
> ********************************************************
> *Chaitanya Sharma,*
> *Prof. Pati'*s group,
> Chemistry and Physics Materials unit,
> JNCASR, BANGLORE,
> Lab:: (080-2208) 2581, 2809
> https://sites.google.com/site/sharmasrkcyamijala/
> *********************************************************
>
>
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