This is the user forum of the DFT FLAPW code FLEUR.
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The documentation of the code can be found at the FLEUR homepage.
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wonjae
Posts: 2 | Last online: 09.15.2021
Date registered
06.16.2021
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    • wonjae has written a new post "Never converging fully-non collinear LDA+SO+U in 5.1 " 06.23.2021

      Dear Daniel

      Thank you for your answer, I just read the documentation on non-collinear magnestism. It says at the end that it is helpful to adjust

      calculationSetup/nocoParams/@mix_RelaxWeightOffD

      to be the same as the "usual mixing parameter" used for the system. Does this parameter mean the one present in

      <ldaU l_linMix="F" mixParam=".050000" spinf="1.000000"/> ??

      The description is in the last paragraph of "Fleur homepage - User guide - Theoretical background - Treatment of noncollinear magnetism" (Cannot post an external link)

      Cheers
      Wonjae

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wonjae
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