[Wien] wien2wannier error

Elias Assmann elias.assmann at gmail.com
Wed Jun 12 14:47:04 CEST 2013


Dear Wasim,

On 06/12/2013 12:09 PM, wasim raja Mondal wrote:
>        I have written wien2wannier mail. But I didnot get any reply. So

It is surely not my place to dispense personal advice, but ... Maybe you 
should be a little more patient?  You wrote me two e-mails *yesterday* 
to <wien2wannier at ifp.tuwien.ac.at> (yes, it is just me behind that 
address, just a lowly grad student).

> I am writting wien2k mailing list. I am using wien2wannier for BaTiO3. I
> want to construct 9 wannier function for 3 O p orbital. I am getting the
> following error:
>
>   Wannier90: Execution started on 12Jun2013 at 20:46:02
>   Exiting.......
>   No subdir.eig file found. Needed for interpolation

Asking good questions is a skill. [1]  Since you no longer talk about 
the problem you mentioned in the personal e-mails, I am going to assume 
you solved that one on your own.

Now, all I can tell you about the error you are seeing is that the 
“.eig” file should be created by “w2w”, so obviously something went 
wrong at that step or before.

> Below I am giving the win file.

Unfortunately that does not help me help you.


	Elias


[1] <http://www.catb.org/esr/faqs/smart-questions.html>


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