Skip to content
  • Home
  • Recent
Collapse
Brand Logo
CRYSTAL23
Latest v1.0.1
Tutorials Try the Demo Get a License
Tutorials Try the Demo Get a License Instagram
  1. Home
  2. PROPERTIES
  3. Other Questions
  4. Creating Wannierization Input Files
MSSC2026 Summer School: Registration is now open!

14-18 Sep 2026, London (UK)

Early Bird fee available until 8 May

Creating Wannierization Input Files

Scheduled Pinned Locked Moved Other Questions
2 Posts 2 Posters 72 Views
  • Oldest to Newest
  • Newest to Oldest
  • Most Votes
Log in to reply
This topic has been deleted. Only users with topic management privileges can see it.
  • CaesarSaladundefined Offline
    CaesarSaladundefined Offline
    CaesarSalad
    wrote last edited by
    #1

    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

    1 Reply Last reply
    0
    • GiacomoAmbrogioundefined Offline
      GiacomoAmbrogioundefined Offline
      GiacomoAmbrogio Developer
      wrote last edited by
      #2

      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.

      Giacomo Ambrogio, PhD Student
      Department of Chemistry - University of Torino
      V. Giuria 5, 10125 Torino (Italy)

      1 Reply Last reply
      0

      Powered by Crystal Solutions
      • Login

      • Don't have an account? Register

      • Login or register to search.
      • First post
        Last post
      0
      • Home
      • Recent