[Wien] dstart

[ben amara imen]

Hello!!
  My cristal have a rhonbohedral structure.The dstart file show that there
are core electrons leak out of MT-sphere . I do the all suggestions :I
tryed to increase the Rmt taking into account the no overlapping of
spheres,  also I decrease the core seperation energy ( I fixed it at -9
Ry), but the problem still .


The file case.struct is the following:
InSe

R   LATTICE,NONEQUIV.ATOMS:
4166_R-3m
MODE OF CALC=RELA
unit=ang
  7.558908  7.558908 47.847885 90.000000
90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=0.00001000 RMT=    1.4000   Z:
49.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11111114 Y=0.11111114 Z=0.11111114
          MULT= 2          ISPLIT= 4
      -2: X=0.88888886 Y=0.88888886 Z=0.88888886
In         NPT=  781  R0=0.00001000 RMT=    1.4000   Z:
49.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.82810000 Y=0.82810000 Z=0.82810000
          MULT= 2          ISPLIT= 4
      -3: X=0.17190000 Y=0.17190000 Z=0.17190000
Se         NPT=  781  R0=0.00005000 RMT=    1.2000   Z:
34.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.61650000 Y=0.61650000 Z=0.61650000
          MULT= 2          ISPLIT= 4
      -4: X=0.38350000 Y=0.38350000 Z=0.38350000
Se         NPT=  781  R0=0.00005000 RMT=    1.2000   Z:
34.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  12      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 0-1 0.00000000
 0-1 0 0.00000000
       2
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0-1 0.00000000
       3
 0 0-1 0.00000000
-1 0 0 0.00000000
 0-1 0 0.00000000
       4
 0-1 0 0.00000000
 0 0-1 0.00000000
-1 0 0 0.00000000
       5
 0 0-1 0.00000000
 0-1 0 0.00000000
-1 0 0 0.00000000
       6
 0 0 1 0.00000000
 0 1 0 0.00000000
 1 0 0 0.00000000
       7
 0 1 0 0.00000000
 0 0 1 0.00000000
 1 0 0 0.00000000
       8
 0 0 1 0.00000000
 1 0 0 0.00000000
 0 1 0 0.00000000
       9
 0 1 0 0.00000000
 1 0 0 0.00000000
 0 0 1 0.00000000
      10
 1 0 0 0.00000000
 0 0 1 0.00000000
 0 1 0 0.00000000
      11
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
      12
Can you help me please! Thanks in advance
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