[Wien] scf convergence problem of hematite slab

[swati chaudhury]

Dear all Wien users,
           I am in very common scf convergence problem with nonmagnetic hematite slab. Details of inputs are given below:
  13 GGA, Cut-off = -9.0    RmtKmax = 5.50, Global E-parameter = 0.30 
  Emin = -9.0, Emax = 2.5    Mixing factor = 0.40
  Gmax =14.0, K-points = 1
  (2 2 1) type of supercell with 15 bohr slab in the z-direction.
  I have performed many calculations with changing mixing factor 0.40 to 0.10, 0.01; global E-parameter 0.35, 8 K-points, mixing pattern PRATT rather than BROYD, GAUSS rather than TETRA ( evel 0.002 )in case.in2 file. But any combination does not help to solve the convergence problem. What will I do now? Please suggest.
  Structure file has been attached with this letter.
  I have used wien_07.3 version.
  Thanks in advance.
  Regards.
  swati
   
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