Creating Wannierization Input Files

CaesarSalad

Hello, I used an example from the Crystal23 manual to build an input file for Wannierization of the fort.9 , however, the program says that the input deck is empty. This is the file so far:

NEWK
6 6
1 0
LOCALWF
VALENCE
SYMMWF
END
VALENCE
SYMMWF
END
PRINTPLO
0 0 0 -8
1 1 60 1
1
END
END
END

I was trying to run it via Pproperties - could this also be an issue?

Chris

GiacomoAmbrogio

Hi Chris,
I tested the same input with properties and it starts correctly, so the input deck itself seems fine. The issue may instead be that the launch script that is not pointing to the correct input file.

Without your fort.9 I cannot test the full input, but if you share a few details on your setup and how you launch the job, it may be easier to identify the problem.

CaesarSalad

Hi Giacomo
Now that you pointed that out... I can see that my launch script was at fault indeed. I wasn't actually passing the correct file name to the launch script. It is running well now, thanks a lot!
C.