This is the user forum of the DFT FLAPW code FLEUR.
It is meant to be used as a place to asks questions to other users and the developers, to provide feedback and suggestions.
The documentation of the code can be found at the FLEUR homepage.
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sureshravi
Posts: 5 | Last online: 11.03.2022
Date registered
06.11.2022
Sex
not specified
    • sureshravi has written a new post "Jij calculation error" 07.13.2022

      I am attaching kpts.xml and sym.xml files below. I attaching it as txt file.

    • sureshravi has written a new post "Jij calculation error" 07.09.2022

      Dear Gregor,
      As you suggested I have tried Heisenberg exchange coupling calculation with new input file which is available in FLEUR website (attached below) without MPI parallelisation. But still I am getting the error "Closing xml element inconsistency!". I have attached my all the inputs with this mail. Can you tell me what mistake I am making.?

      It will be very helpful if you give the input file for the Heisenberg exchange coupling calculation for spiral systems.

    • sureshravi has written a new post "Jij calculation error" 07.06.2022

      Dear Gregor I have invoked

      1
       
      xmllint --xinclude --valid --schema FleurInputSchema.xsd inp.xml
       



      The result i have attached with this reply

    • sureshravi has written a new post "Jij calculation error" 06.29.2022

      Dear Gregor,
      Due some issue i could not copy the html website link in the post. I am attaching the inp.xml file and slurm out file with this post. I am still getting the same error. I could not find what mistake I am doing.

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