[Wannier] .mmn files and .chk files

[Jonathan Yates]

On 17 Mar 2010, at 18:54, Elie Moujaes wrote:

> Dear all,
>  
> (1 ) I successfully created .mmn files for my wannier calculations for graphene but I cannot open them in ACROBAT reader because it says either the file is corrupt or acrobat reader doesnt not support this kind of file..It opens however in word. I am not sure if there is a way to open it in acrobat or not.

I don't see why you would want to do that.
.mmn is a text file. Acrobat is for reading pdf files. 

Word not a great choice, you should be using a text editor
 http://en.wikipedia.org/wiki/Text_editor  
 
> (2) most importantly..I want to plot the band structure of graphene and plot the MLWFs but when I add restart = plot,  and run the wannier90.x command again I get the error:
>  
>   
>  
> Wannier90: Execution started on 17Mar2010 at 15:24:06 
>  Exiting.......
>  Error: restart requested but mgraphtb.chk file not found
>  
> I tried to insert
>  
>               write_chk= true       
>  
> in the pw2wann file but it did not work. I am sure something is missing in the WIN file but I cannot figure out what it is because all eig mmn and amn files are fine and I read that restart depends on the .chk file.

 The chk file is written by wannier90 when it has finished the minimisation of the spread (also as a back up during the minimisation). It contains the unitary rotations which define the MLWF.
 So the fact that this file is absent suggests that you have not attempted to minimise the spread.

 You will find this covered in the first two examples in the tutorial (of course I would like to assume you diligently worked through the tutorial before starting to do new science with the code, and before posting questions here....)


 Jonathan




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