[Wien] FCORE not converged at RMT warnings

[Pavel Ondracka]

Dear Wien2k mailing list,

after upgrade to Wien2k_14 I'm seeing this warning: 

FCORE for atom   1 not converged at RMT. Estimated inaccuracy:  0.2417
mRy/bohr

This is a monoclinic HfO2 cell, atom 1 is Hf atom (struct file
attached). I'm using the mBJ potential and I don't see this warning
during the LDA run before I initialize mBJ, only with mBJ. 

Is this a problem? What parameters should I tweak to get rid of this?

Best regards
Pavel Ondračka  
-------------- next part --------------
m-HfO2                                                                     
P   LATTICE,NONEQUIV.ATOMS   3    0 P121/c1                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.667083  9.774042 10.005722 90.000000 99.180000 90.000000                   
ATOM  -1: X=0.27590000 Y=0.04120000 Z=0.20780000
          MULT= 4          ISPLIT= 8
      -1: X=0.27590000 Y=0.45880000 Z=0.70780000
      -1: X=0.72410000 Y=0.54120000 Z=0.29220000
      -1: X=0.72410000 Y=0.95880000 Z=0.79220000
Hf         NPT=  781  R0=.000005000 RMT= 2.05        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07300000 Y=0.34600000 Z=0.33200000
          MULT= 4          ISPLIT= 8
      -2: X=0.07300000 Y=0.15400000 Z=0.83200000
      -2: X=0.92700000 Y=0.84600000 Z=0.16800000
      -2: X=0.92700000 Y=0.65400000 Z=0.66800000
O  1       NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.44600000 Y=0.74800000 Z=0.48800000
          MULT= 4          ISPLIT= 8
      -3: X=0.44600000 Y=0.75200000 Z=0.98800000
      -3: X=0.55400000 Y=0.24800000 Z=0.01200000
      -3: X=0.55400000 Y=0.25200000 Z=0.51200000
O  2       NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   4      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0-1-0.00000000
       1
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       2
-1 0 0 0.00000000
 0 1 0 0.50000000
 0 0-1 0.50000000
       3
 1 0 0 0.00000000
 0-1 0 0.50000000
 0 0 1 0.50000000
       4