##########################################
This is the Voronoi program
Code version: v3.1-1679-g1fae947
Compile options:intel
serial number for files:JuKKR_v3.1-1679-g1fae947_intel_20201217201705
##########################################

**********************************************************
*         SCREENED KKR POTENTIAL PREPARATION  UTILITY    *
*                                                        *
**********************************************************
 Begin Structure
 readinput: CARTESIAN= T
 NAEZ=           4
 Begin define volume weights
 End Define volume weights
 End Structure
 Parameters Used for the cluster calculation
 Clusters inside spheres with radius R =    2.30000000000000     
 RBASIS
     0.00000000     0.00000000     0.00000000     1
     0.50000000     0.50000000     0.00000000     2
     0.50000000     0.00000000     0.50000000     3
     0.00000000     0.50000000     0.50000000     4

 NATYP not found, setting NATYP=NAEZ.
NAEZ=    4 ; NATYP=    4 ; NSPIN= 2
 NATYP 
   4
   Z lmx     KFG cls pot ntc  MTFAC irns   MT Size
---+---------------------------------------------------------------------------
 29.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
 29.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
 29.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
 29.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
---+---+-------+---+---+---+-------+---+---------------------------------------
---+---------------------------------------------------------------------------


                    full potential calculation - cut off of non spherical potential
 >

                               representive atom no.  1 irns :    0 irnsd : 1399
                               representive atom no.  2 irns :    0 irnsd : 1399
                               representive atom no.  3 irns :    0 irnsd : 1399
                               representive atom no.  4 irns :    0 irnsd : 1399
---+--------------+--------------+--------------+------------------------------
 KAOEZ 
   1   2   3   4
    NCLS    NREF   
       0       0
-------------------------------------------------------------------------------
 TEST OPTIONS:
         //        //        //        //        //        //        //        
         //        //        //        //        //        //        //        

-------------------------------------------------------------------------------
-------------------------------------------------------------------------------
 EXECUTION OPTIONS:
         //        //        //        //        //        //        //        
-------------------------------------------------------------------------------
 I12="                                        "
 I13="                                        "
 I19="                                        "
-------+-------+-------+-------------------------------------------------------
  >>>>>>>>> RINPUT99 EXITS NOW <<<<<<<<<< 
 True basis vectors (not normalized):
    6.82191131    0.00000000    0.00000000
    0.00000000    6.82191131    0.00000000
    0.00000000    0.00000000    6.82191131
 Reciprocal lattice vectors, in units 2pi/a:
    1.00000000    0.00000000    0.00000000
    0.00000000    1.00000000    0.00000000
    0.00000000    0.00000000    1.00000000
 >>> RRGEN: generation of real space mesh rr(nr)
 r        :     13.73
 r**2     :    188.57
 n1,n2,n3 :   12   12   12
 10460 real space vectors created.
 position of atoms in unit cell :
     0.00000000     0.00000000     0.00000000     1
     0.50000000     0.50000000     0.00000000     2
     0.50000000     0.00000000     0.50000000     3
     0.00000000     0.50000000     0.50000000     4
 >>> CLSGEN99: generation of cluster coordinates
 RCUT =    2.30000000000000       RCUTXY =    2.30000000000000     
 Spherical Clusters are created
 clsgen_voronoi: Max. cluster size found:          201
 clsgen_voronoi: Max. cluster size found:          201
 clsgen_voronoi: Max. cluster size found:          201
 clsgen_voronoi: Max. cluster size found:          201
clsgen_voronoi: Cluster No.    1 sites:  201
    1    1    0  0.0000  0.0000  0.0000  0.0000
    1    4    0  0.0000 -0.5000 -0.5000  0.7071
    1    3    0 -0.5000  0.0000 -0.5000  0.7071
    1    3    5  0.5000  0.0000 -0.5000  0.7071
    1    4    3  0.0000  0.5000 -0.5000  0.7071
    1    2    0 -0.5000 -0.5000  0.0000  0.7071
    1    2    5  0.5000 -0.5000  0.0000  0.7071
    1    2    3 -0.5000  0.5000  0.0000  0.7071
    1    2   15  0.5000  0.5000  0.0000  0.7071
    1    4    1  0.0000 -0.5000  0.5000  0.7071
    1    3    1 -0.5000  0.0000  0.5000  0.7071
    1    3    7  0.5000  0.0000  0.5000  0.7071
    1    4   17  0.0000  0.5000  0.5000  0.7071
    1    1    4  0.0000  0.0000 -1.0000  1.0000
    1    1    6  0.0000 -1.0000  0.0000  1.0000
    1    1    2 -1.0000  0.0000  0.0000  1.0000
    1    1    5  1.0000  0.0000  0.0000  1.0000
    1    1    3  0.0000  1.0000  0.0000  1.0000
    1    1    1  0.0000  0.0000  1.0000  1.0000
    1    2    4 -0.5000 -0.5000 -1.0000  1.2247
    1    2   18  0.5000 -0.5000 -1.0000  1.2247
    1    2   11 -0.5000  0.5000 -1.0000  1.2247
    1    2   22  0.5000  0.5000 -1.0000  1.2247
    1    3    6 -0.5000 -1.0000 -0.5000  1.2247
    1    3    9  0.5000 -1.0000 -0.5000  1.2247
    1    4    2 -1.0000 -0.5000 -0.5000  1.2247
    1    4    5  1.0000 -0.5000 -0.5000  1.2247
    1    4   12 -1.0000  0.5000 -0.5000  1.2247
    1    4   15  1.0000  0.5000 -0.5000  1.2247
    1    3    3 -0.5000  1.0000 -0.5000  1.2247
    1    3   15  0.5000  1.0000 -0.5000  1.2247
    1    3   14 -0.5000 -1.0000  0.5000  1.2247
    1    3   19  0.5000 -1.0000  0.5000  1.2247
    1    4   16 -1.0000 -0.5000  0.5000  1.2247
    1    4    7  1.0000 -0.5000  0.5000  1.2247
    1    4   24 -1.0000  0.5000  0.5000  1.2247
    1    4   25  1.0000  0.5000  0.5000  1.2247
    1    3   17 -0.5000  1.0000  0.5000  1.2247
    1    3   25  0.5000  1.0000  0.5000  1.2247
    1    2    1 -0.5000 -0.5000  1.0000  1.2247
    1    2    7  0.5000 -0.5000  1.0000  1.2247
    1    2   17 -0.5000  0.5000  1.0000  1.2247
    1    2   25  0.5000  0.5000  1.0000  1.2247
    1    1    8  0.0000 -1.0000 -1.0000  1.4142
    1    1   13 -1.0000  0.0000 -1.0000  1.4142
    1    1   18  1.0000  0.0000 -1.0000  1.4142
    1    1   11  0.0000  1.0000 -1.0000  1.4142
    1    1   10 -1.0000 -1.0000  0.0000  1.4142
    1    1    9  1.0000 -1.0000  0.0000  1.4142
    1    1   12 -1.0000  1.0000  0.0000  1.4142
    1    1   15  1.0000  1.0000  0.0000  1.4142
    1    1   14  0.0000 -1.0000  1.0000  1.4142
    1    1   16 -1.0000  0.0000  1.0000  1.4142
    1    1    7  1.0000  0.0000  1.0000  1.4142
    1    1   17  0.0000  1.0000  1.0000  1.4142
    1    4    4  0.0000 -0.5000 -1.5000  1.5811
    1    3    4 -0.5000  0.0000 -1.5000  1.5811
    1    3   18  0.5000  0.0000 -1.5000  1.5811
    1    4   11  0.0000  0.5000 -1.5000  1.5811
    1    4    6  0.0000 -1.5000 -0.5000  1.5811
    1    3    2 -1.5000  0.0000 -0.5000  1.5811
    1    3   30  1.5000  0.0000 -0.5000  1.5811
    1    4   32  0.0000  1.5000 -0.5000  1.5811
    1    2    6 -0.5000 -1.5000  0.0000  1.5811
    1    2    9  0.5000 -1.5000  0.0000  1.5811
    1    2    2 -1.5000 -0.5000  0.0000  1.5811
    1    2   30  1.5000 -0.5000  0.0000  1.5811
    1    2   12 -1.5000  0.5000  0.0000  1.5811
    1    2   41  1.5000  0.5000  0.0000  1.5811
    1    2   32 -0.5000  1.5000  0.0000  1.5811
    1    2   50  0.5000  1.5000  0.0000  1.5811
    1    4   14  0.0000 -1.5000  0.5000  1.5811
    1    3   16 -1.5000  0.0000  0.5000  1.5811
    1    3   46  1.5000  0.0000  0.5000  1.5811
    1    4   56  0.0000  1.5000  0.5000  1.5811
    1    4   27  0.0000 -0.5000  1.5000  1.5811
    1    3   27 -0.5000  0.0000  1.5000  1.5811
    1    3   35  0.5000  0.0000  1.5000  1.5811
    1    4   49  0.0000  0.5000  1.5000  1.5811
    1    1   26 -1.0000 -1.0000 -1.0000  1.7321
    1    1   21  1.0000 -1.0000 -1.0000  1.7321
    1    1   20 -1.0000  1.0000 -1.0000  1.7321
    1    1   22  1.0000  1.0000 -1.0000  1.7321
    1    1   23 -1.0000 -1.0000  1.0000  1.7321
    1    1   19  1.0000 -1.0000  1.0000  1.7321
    1    1   24 -1.0000  1.0000  1.0000  1.7321
    1    1   25  1.0000  1.0000  1.0000  1.7321
    1    3    8 -0.5000 -1.0000 -1.5000  1.8708
    1    3   21  0.5000 -1.0000 -1.5000  1.8708
    1    4   13 -1.0000 -0.5000 -1.5000  1.8708
    1    4   18  1.0000 -0.5000 -1.5000  1.8708
    1    4   20 -1.0000  0.5000 -1.5000  1.8708
    1    4   22  1.0000  0.5000 -1.5000  1.8708
    1    3   11 -0.5000  1.0000 -1.5000  1.8708
    1    3   22  0.5000  1.0000 -1.5000  1.8708
    1    2    8 -0.5000 -1.5000 -1.0000  1.8708
    1    2   21  0.5000 -1.5000 -1.0000  1.8708
    1    2   13 -1.5000 -0.5000 -1.0000  1.8708
    1    2   42  1.5000 -0.5000 -1.0000  1.8708
    1    2   20 -1.5000  0.5000 -1.0000  1.8708
    1    2   79  1.5000  0.5000 -1.0000  1.8708
    1    2   48 -0.5000  1.5000 -1.0000  1.8708
    1    2   57  0.5000  1.5000 -1.0000  1.8708
    1    4   10 -1.0000 -1.5000 -0.5000  1.8708
    1    4    9  1.0000 -1.5000 -0.5000  1.8708
    1    3   10 -1.5000 -1.0000 -0.5000  1.8708
    1    3   37  1.5000 -1.0000 -0.5000  1.8708
    1    3   12 -1.5000  1.0000 -0.5000  1.8708
    1    3   41  1.5000  1.0000 -0.5000  1.8708
    1    4   38 -1.0000  1.5000 -0.5000  1.8708
    1    4   50  1.0000  1.5000 -0.5000  1.8708
    1    4   23 -1.0000 -1.5000  0.5000  1.8708
    1    4   19  1.0000 -1.5000  0.5000  1.8708
    1    3   23 -1.5000 -1.0000  0.5000  1.8708
    1    3   69  1.5000 -1.0000  0.5000  1.8708
    1    3   24 -1.5000  1.0000  0.5000  1.8708
    1    3   62  1.5000  1.0000  0.5000  1.8708
    1    4   61 -1.0000  1.5000  0.5000  1.8708
    1    4   74  1.0000  1.5000  0.5000  1.8708
    1    2   14 -0.5000 -1.5000  1.0000  1.8708
    1    2   19  0.5000 -1.5000  1.0000  1.8708
    1    2   16 -1.5000 -0.5000  1.0000  1.8708
    1    2   46  1.5000 -0.5000  1.0000  1.8708
    1    2   24 -1.5000  0.5000  1.0000  1.8708
    1    2   62  1.5000  0.5000  1.0000  1.8708
    1    2   56 -0.5000  1.5000  1.0000  1.8708
    1    2   74  0.5000  1.5000  1.0000  1.8708
    1    3   54 -0.5000 -1.0000  1.5000  1.8708
    1    3   60  0.5000 -1.0000  1.5000  1.8708
    1    4   43 -1.0000 -0.5000  1.5000  1.8708
    1    4   35  1.0000 -0.5000  1.5000  1.8708
    1    4   72 -1.0000  0.5000  1.5000  1.8708
    1    4   77  1.0000  0.5000  1.5000  1.8708
    1    3   49 -0.5000  1.0000  1.5000  1.8708
    1    3   77  0.5000  1.0000  1.5000  1.8708
    1    1   28  0.0000  0.0000 -2.0000  2.0000
    1    1   29  0.0000 -2.0000  0.0000  2.0000
    1    1   31 -2.0000  0.0000  0.0000  2.0000
    1    1   30  2.0000  0.0000  0.0000  2.0000
    1    1   32  0.0000  2.0000  0.0000  2.0000
    1    1   27  0.0000  0.0000  2.0000  2.0000
    1    2   28 -0.5000 -0.5000 -2.0000  2.1213
    1    2   36  0.5000 -0.5000 -2.0000  2.1213
    1    2   39 -0.5000  0.5000 -2.0000  2.1213
    1    2   65  0.5000  0.5000 -2.0000  2.1213
    1    4    8  0.0000 -1.5000 -1.5000  2.1213
    1    3   13 -1.5000  0.0000 -1.5000  2.1213
    1    3   42  1.5000  0.0000 -1.5000  2.1213
    1    4   48  0.0000  1.5000 -1.5000  2.1213
    1    3   29 -0.5000 -2.0000 -0.5000  2.1213
    1    3   33  0.5000 -2.0000 -0.5000  2.1213
    1    4   31 -2.0000 -0.5000 -0.5000  2.1213
    1    4   30  2.0000 -0.5000 -0.5000  2.1213
    1    4   34 -2.0000  0.5000 -0.5000  2.1213
    1    4   41  2.0000  0.5000 -0.5000  2.1213
    1    3   32 -0.5000  2.0000 -0.5000  2.1213
    1    3   50  0.5000  2.0000 -0.5000  2.1213
    1    2   10 -1.5000 -1.5000  0.0000  2.1213
    1    2   37  1.5000 -1.5000  0.0000  2.1213
    1    2   38 -1.5000  1.5000  0.0000  2.1213
    1    2   92  1.5000  1.5000  0.0000  2.1213
    1    3   40 -0.5000 -2.0000  0.5000  2.1213
    1    3   59  0.5000 -2.0000  0.5000  2.1213
    1    4   55 -2.0000 -0.5000  0.5000  2.1213
    1    4   46  2.0000 -0.5000  0.5000  2.1213
    1    4   80 -2.0000  0.5000  0.5000  2.1213
    1    4   62  2.0000  0.5000  0.5000  2.1213
    1    3   56 -0.5000  2.0000  0.5000  2.1213
    1    3   74  0.5000  2.0000  0.5000  2.1213
    1    4   54  0.0000 -1.5000  1.5000  2.1213
    1    3   43 -1.5000  0.0000  1.5000  2.1213
    1    3   90  1.5000  0.0000  1.5000  2.1213
    1    4   85  0.0000  1.5000  1.5000  2.1213
    1    2   27 -0.5000 -0.5000  2.0000  2.1213
    1    2   35  0.5000 -0.5000  2.0000  2.1213
    1    2   49 -0.5000  0.5000  2.0000  2.1213
    1    2   77  0.5000  0.5000  2.0000  2.1213
    1    1   53  0.0000 -1.0000 -2.0000  2.2361
    1    1   44 -1.0000  0.0000 -2.0000  2.2361
    1    1   36  1.0000  0.0000 -2.0000  2.2361
    1    1   39  0.0000  1.0000 -2.0000  2.2361
    1    1   45  0.0000 -2.0000 -1.0000  2.2361
    1    1   51 -2.0000  0.0000 -1.0000  2.2361
    1    1   42  2.0000  0.0000 -1.0000  2.2361
    1    1   48  0.0000  2.0000 -1.0000  2.2361
    1    1   47 -1.0000 -2.0000  0.0000  2.2361
    1    1   33  1.0000 -2.0000  0.0000  2.2361
    1    1   52 -2.0000 -1.0000  0.0000  2.2361
    1    1   37  2.0000 -1.0000  0.0000  2.2361
    1    1   34 -2.0000  1.0000  0.0000  2.2361
    1    1   41  2.0000  1.0000  0.0000  2.2361
    1    1   38 -1.0000  2.0000  0.0000  2.2361
    1    1   50  1.0000  2.0000  0.0000  2.2361
    1    1   40  0.0000 -2.0000  1.0000  2.2361
    1    1   55 -2.0000  0.0000  1.0000  2.2361
    1    1   46  2.0000  0.0000  1.0000  2.2361
    1    1   56  0.0000  2.0000  1.0000  2.2361
    1    1   54  0.0000 -1.0000  2.0000  2.2361
    1    1   43 -1.0000  0.0000  2.0000  2.2361
    1    1   35  1.0000  0.0000  2.0000  2.2361
    1    1   49  0.0000  1.0000  2.0000  2.2361
 Clusters from clsgen_voronoi:
CLSGEN_VORONOI: Atom    1 Rmthlf 0.3535534 cluster    1 Sites  201
CLSGEN_VORONOI: Atom    2 Rmthlf 0.3535534 cluster    1 Sites  201
CLSGEN_VORONOI: Atom    3 Rmthlf 0.3535534 cluster    1 Sites  201
CLSGEN_VORONOI: Atom    4 Rmthlf 0.3535534 cluster    1 Sites  201
  Sub clsgen_voronoi  exiting <<<<<<<<<<<<<
 Preparing neighbours of Site:           1
 Number of considered neighbours is:         100
 Max. neighbour distance is:   1.87082869338697     
 Entering VORONOI12 for atom=           1
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          13  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          14  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          15  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          16  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          17  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          18  ,only            1  vertices were found.
  Polyhedron properties 
  Number of faces :           12
 The Volume is :   0.250000000000000     
Voronoi subroutine: RMT=  0.35355339E+00; ROUT=  0.50000000E+00; RATIO=       70.71 %
 Preparing neighbours of Site:           2
 Number of considered neighbours is:         100
 Max. neighbour distance is:   1.87082869338697     
 Entering VORONOI12 for atom=           2
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          13  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          14  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          15  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          16  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          17  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          18  ,only            1  vertices were found.
  Polyhedron properties 
  Number of faces :           12
 The Volume is :   0.250000000000000     
Voronoi subroutine: RMT=  0.35355339E+00; ROUT=  0.50000000E+00; RATIO=       70.71 %
 Preparing neighbours of Site:           3
 Number of considered neighbours is:         100
 Max. neighbour distance is:   1.87082869338697     
 Entering VORONOI12 for atom=           3
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          13  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          14  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          15  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          16  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          17  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          18  ,only            1  vertices were found.
  Polyhedron properties 
  Number of faces :           12
 The Volume is :   0.250000000000000     
Voronoi subroutine: RMT=  0.35355339E+00; ROUT=  0.50000000E+00; RATIO=       70.71 %
 Preparing neighbours of Site:           4
 Number of considered neighbours is:         100
 Max. neighbour distance is:   1.87082869338697     
 Entering VORONOI12 for atom=           4
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          13  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          14  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          15  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          16  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          17  ,only            1  vertices were found.
 VERTEX3D: Error:There is a problem with the vertices.
 For plane          18  ,only            1  vertices were found.
  Polyhedron properties 
  Number of faces :           12
 The Volume is :   0.250000000000000     
Voronoi subroutine: RMT=  0.35355339E+00; ROUT=  0.50000000E+00; RATIO=       70.71 %
 Found            1  inequivalent cells.
 Found            1  inequivalent shapes.
%    Atom     1  cellref     1 shaperef     1  idshape     1
%    Atom     2  cellref     1 shaperef     1  idshape     1
%    Atom     3  cellref     1 shaperef     1  idshape     1
%    Atom     4  cellref     1 shaperef     1  idshape     1
 Constructing shape           1  with rep. atom           1
No. of panels by sub FINDPANELS for shape:    1:    4
      0.3535533905932737      0.4082482904638630      0.4330127018922193      0.5000000000000000
 Suggested number of points before muffintinization:         100
 Calculating Shape:           1

--------------------------------------------------
I             SUITABLE RADIAL MESH               I
I             ********************               I
I   IPAN       FROM       TO             POINTS  I
I                                                I
I      1  0.3535533905932737E+00  0.4082482904638630E+00        47   I
I      2  0.4082482904638630E+00  0.4330127018922193E+00        24   I
I      3  0.4330127018922193E+00  0.5000000000000000E+00        54   I
--------------------------------------------------
Faces for polyhedron......      12
Volume ....(alat^3).......    0.25000000
ASA Sphere (a.u.).........    2.66597784
MT  Sphere (a.u.).........    2.41190988
 MTRADIUS,RMTCL   2.41190987500347        2.41190987500347     
 RMT OF SHAPE           1  REDUCED TO    2.38779077625343     

Your shape function will be updated 
to match to the smaller Muffin Tin sphere.
New RMT (a.u.)............    2.38779078
Percentage Change ........    1.00
 rmt  =    2.38779077625343     
 rmax =    3.41095565645150     
 Shapes construction finished.
 <<<<<<<<<<<<<<<<<<<<<<--->>>>>>>>>>>>>>>>>>>>>
 meshn         135
 Writing out shape           1
 *******************************************
  Analyzing lattice finised ...     
  Number of SITES..............           4
  Number of CLUSTERS ..........           1
  Number of CELLS..............           1
  Number of SHAPES.............           1
  Number of constructed shapes.           1
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   1
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   2
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   3
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   4
  ****** Volume for each atom ******
  RMAX is the maximum radius of the shape,  RMT is updated
 Atom ..    1 Volume(alat^3)  :   0.25000000   RMT :  2.38779   RMAX :  3.41096
 Atom ..    2 Volume(alat^3)  :   0.25000000   RMT :  2.38779   RMAX :  3.41096
 Atom ..    3 Volume(alat^3)  :   0.25000000   RMT :  2.38779   RMAX :  3.41096
 Atom ..    4 Volume(alat^3)  :   0.25000000   RMT :  2.38779   RMAX :  3.41096

Total volume (alat^3)    ...      1.00000000
Total Volume (a.u.^3)   ....    317.48134200

Bravais cross prod.(alat^3):      1.00000000
 
 +++++++++++ Note about volumes +++++++++++++++++
  Volume is probably different if you are in 2d mode 
  In case of 3d mode and volume inconsistency 
  try increasing the cluster atoms by changing 
  RCLUSTZ and RCLUSTXY  in the inputcard
 ++++++++++++++++++++++++++++++++++++++++
 
 
 Preparing potentials ................. 
  No potential file specified I will use jellium potentials
  Full  Potential Output 
 MESHN_ALL(IDSHAPE(IAT))           1           1         135
 MESHN_ALL(IDSHAPE(IAT))           2           1         135
 MESHN_ALL(IDSHAPE(IAT))           3           1         135
 MESHN_ALL(IDSHAPE(IAT))           4           1         135
  ****  JELLSTART POTENTIALS **** 
 From atom No.           1 to atom No.           4
Generating potential for atom     1 at site     1 with shape     1  
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
Generating potential for atom     2 at site     2 with shape     1  
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
Generating potential for atom     3 at site     3 with shape     1  
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
Generating potential for atom     4 at site     4 with shape     1  
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
 Using database ....: ElementDataBase/Cu29.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  29.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In         1501  points
 >>> CLSGEN_TB: generation of cluster coordinates
 RCUT =    2.30000000000000       RCUTXY =    2.30000000000000     
 Spherical Clusters are created
 clsgen_tb: cluster size of site:           1 :         201
 clsgen_tb: Touching RMT of site:           1 :  0.353553390593274     
 clsgen_tb: cluster size of site:           2 :         201
 clsgen_tb: Touching RMT of site:           2 :  0.353553390593274     
 clsgen_tb: cluster size of site:           3 :         201
 clsgen_tb: Touching RMT of site:           3 :  0.353553390593274     
 clsgen_tb: cluster size of site:           4 :         201
 clsgen_tb: Touching RMT of site:           4 :  0.353553390593274     
clsgen_voronoi: Cluster No.    1 sites:  201
    1    1    0  0.0000  0.0000  0.0000  0.0000
    1    4    0  0.0000 -0.5000 -0.5000  0.7071
    1    3    0 -0.5000  0.0000 -0.5000  0.7071
    1    3    5  0.5000  0.0000 -0.5000  0.7071
    1    4    3  0.0000  0.5000 -0.5000  0.7071
    1    2    0 -0.5000 -0.5000  0.0000  0.7071
    1    2    5  0.5000 -0.5000  0.0000  0.7071
    1    2    3 -0.5000  0.5000  0.0000  0.7071
    1    2   15  0.5000  0.5000  0.0000  0.7071
    1    4    1  0.0000 -0.5000  0.5000  0.7071
    1    3    1 -0.5000  0.0000  0.5000  0.7071
    1    3    7  0.5000  0.0000  0.5000  0.7071
    1    4   17  0.0000  0.5000  0.5000  0.7071
    1    1    4  0.0000  0.0000 -1.0000  1.0000
    1    1    6  0.0000 -1.0000  0.0000  1.0000
    1    1    2 -1.0000  0.0000  0.0000  1.0000
    1    1    5  1.0000  0.0000  0.0000  1.0000
    1    1    3  0.0000  1.0000  0.0000  1.0000
    1    1    1  0.0000  0.0000  1.0000  1.0000
    1    2    4 -0.5000 -0.5000 -1.0000  1.2247
    1    2   18  0.5000 -0.5000 -1.0000  1.2247
    1    2   11 -0.5000  0.5000 -1.0000  1.2247
    1    2   22  0.5000  0.5000 -1.0000  1.2247
    1    3    6 -0.5000 -1.0000 -0.5000  1.2247
    1    3    9  0.5000 -1.0000 -0.5000  1.2247
    1    4    2 -1.0000 -0.5000 -0.5000  1.2247
    1    4    5  1.0000 -0.5000 -0.5000  1.2247
    1    4   12 -1.0000  0.5000 -0.5000  1.2247
    1    4   15  1.0000  0.5000 -0.5000  1.2247
    1    3    3 -0.5000  1.0000 -0.5000  1.2247
    1    3   15  0.5000  1.0000 -0.5000  1.2247
    1    3   14 -0.5000 -1.0000  0.5000  1.2247
    1    3   19  0.5000 -1.0000  0.5000  1.2247
    1    4   16 -1.0000 -0.5000  0.5000  1.2247
    1    4    7  1.0000 -0.5000  0.5000  1.2247
    1    4   24 -1.0000  0.5000  0.5000  1.2247
    1    4   25  1.0000  0.5000  0.5000  1.2247
    1    3   17 -0.5000  1.0000  0.5000  1.2247
    1    3   25  0.5000  1.0000  0.5000  1.2247
    1    2    1 -0.5000 -0.5000  1.0000  1.2247
    1    2    7  0.5000 -0.5000  1.0000  1.2247
    1    2   17 -0.5000  0.5000  1.0000  1.2247
    1    2   25  0.5000  0.5000  1.0000  1.2247
    1    1    8  0.0000 -1.0000 -1.0000  1.4142
    1    1   13 -1.0000  0.0000 -1.0000  1.4142
    1    1   18  1.0000  0.0000 -1.0000  1.4142
    1    1   11  0.0000  1.0000 -1.0000  1.4142
    1    1   10 -1.0000 -1.0000  0.0000  1.4142
    1    1    9  1.0000 -1.0000  0.0000  1.4142
    1    1   12 -1.0000  1.0000  0.0000  1.4142
    1    1   15  1.0000  1.0000  0.0000  1.4142
    1    1   14  0.0000 -1.0000  1.0000  1.4142
    1    1   16 -1.0000  0.0000  1.0000  1.4142
    1    1    7  1.0000  0.0000  1.0000  1.4142
    1    1   17  0.0000  1.0000  1.0000  1.4142
    1    4    4  0.0000 -0.5000 -1.5000  1.5811
    1    3    4 -0.5000  0.0000 -1.5000  1.5811
    1    3   18  0.5000  0.0000 -1.5000  1.5811
    1    4   11  0.0000  0.5000 -1.5000  1.5811
    1    4    6  0.0000 -1.5000 -0.5000  1.5811
    1    3    2 -1.5000  0.0000 -0.5000  1.5811
    1    3   30  1.5000  0.0000 -0.5000  1.5811
    1    4   32  0.0000  1.5000 -0.5000  1.5811
    1    2    6 -0.5000 -1.5000  0.0000  1.5811
    1    2    9  0.5000 -1.5000  0.0000  1.5811
    1    2    2 -1.5000 -0.5000  0.0000  1.5811
    1    2   30  1.5000 -0.5000  0.0000  1.5811
    1    2   12 -1.5000  0.5000  0.0000  1.5811
    1    2   41  1.5000  0.5000  0.0000  1.5811
    1    2   32 -0.5000  1.5000  0.0000  1.5811
    1    2   50  0.5000  1.5000  0.0000  1.5811
    1    4   14  0.0000 -1.5000  0.5000  1.5811
    1    3   16 -1.5000  0.0000  0.5000  1.5811
    1    3   46  1.5000  0.0000  0.5000  1.5811
    1    4   56  0.0000  1.5000  0.5000  1.5811
    1    4   27  0.0000 -0.5000  1.5000  1.5811
    1    3   27 -0.5000  0.0000  1.5000  1.5811
    1    3   35  0.5000  0.0000  1.5000  1.5811
    1    4   49  0.0000  0.5000  1.5000  1.5811
    1    1   26 -1.0000 -1.0000 -1.0000  1.7321
    1    1   21  1.0000 -1.0000 -1.0000  1.7321
    1    1   20 -1.0000  1.0000 -1.0000  1.7321
    1    1   22  1.0000  1.0000 -1.0000  1.7321
    1    1   23 -1.0000 -1.0000  1.0000  1.7321
    1    1   19  1.0000 -1.0000  1.0000  1.7321
    1    1   24 -1.0000  1.0000  1.0000  1.7321
    1    1   25  1.0000  1.0000  1.0000  1.7321
    1    3    8 -0.5000 -1.0000 -1.5000  1.8708
    1    3   21  0.5000 -1.0000 -1.5000  1.8708
    1    4   13 -1.0000 -0.5000 -1.5000  1.8708
    1    4   18  1.0000 -0.5000 -1.5000  1.8708
    1    4   20 -1.0000  0.5000 -1.5000  1.8708
    1    4   22  1.0000  0.5000 -1.5000  1.8708
    1    3   11 -0.5000  1.0000 -1.5000  1.8708
    1    3   22  0.5000  1.0000 -1.5000  1.8708
    1    2    8 -0.5000 -1.5000 -1.0000  1.8708
    1    2   21  0.5000 -1.5000 -1.0000  1.8708
    1    2   13 -1.5000 -0.5000 -1.0000  1.8708
    1    2   42  1.5000 -0.5000 -1.0000  1.8708
    1    2   20 -1.5000  0.5000 -1.0000  1.8708
    1    2   79  1.5000  0.5000 -1.0000  1.8708
    1    2   48 -0.5000  1.5000 -1.0000  1.8708
    1    2   57  0.5000  1.5000 -1.0000  1.8708
    1    4   10 -1.0000 -1.5000 -0.5000  1.8708
    1    4    9  1.0000 -1.5000 -0.5000  1.8708
    1    3   10 -1.5000 -1.0000 -0.5000  1.8708
    1    3   37  1.5000 -1.0000 -0.5000  1.8708
    1    3   12 -1.5000  1.0000 -0.5000  1.8708
    1    3   41  1.5000  1.0000 -0.5000  1.8708
    1    4   38 -1.0000  1.5000 -0.5000  1.8708
    1    4   50  1.0000  1.5000 -0.5000  1.8708
    1    4   23 -1.0000 -1.5000  0.5000  1.8708
    1    4   19  1.0000 -1.5000  0.5000  1.8708
    1    3   23 -1.5000 -1.0000  0.5000  1.8708
    1    3   69  1.5000 -1.0000  0.5000  1.8708
    1    3   24 -1.5000  1.0000  0.5000  1.8708
    1    3   62  1.5000  1.0000  0.5000  1.8708
    1    4   61 -1.0000  1.5000  0.5000  1.8708
    1    4   74  1.0000  1.5000  0.5000  1.8708
    1    2   14 -0.5000 -1.5000  1.0000  1.8708
    1    2   19  0.5000 -1.5000  1.0000  1.8708
    1    2   16 -1.5000 -0.5000  1.0000  1.8708
    1    2   46  1.5000 -0.5000  1.0000  1.8708
    1    2   24 -1.5000  0.5000  1.0000  1.8708
    1    2   62  1.5000  0.5000  1.0000  1.8708
    1    2   56 -0.5000  1.5000  1.0000  1.8708
    1    2   74  0.5000  1.5000  1.0000  1.8708
    1    3   54 -0.5000 -1.0000  1.5000  1.8708
    1    3   60  0.5000 -1.0000  1.5000  1.8708
    1    4   43 -1.0000 -0.5000  1.5000  1.8708
    1    4   35  1.0000 -0.5000  1.5000  1.8708
    1    4   72 -1.0000  0.5000  1.5000  1.8708
    1    4   77  1.0000  0.5000  1.5000  1.8708
    1    3   49 -0.5000  1.0000  1.5000  1.8708
    1    3   77  0.5000  1.0000  1.5000  1.8708
    1    1   28  0.0000  0.0000 -2.0000  2.0000
    1    1   29  0.0000 -2.0000  0.0000  2.0000
    1    1   31 -2.0000  0.0000  0.0000  2.0000
    1    1   30  2.0000  0.0000  0.0000  2.0000
    1    1   32  0.0000  2.0000  0.0000  2.0000
    1    1   27  0.0000  0.0000  2.0000  2.0000
    1    2   28 -0.5000 -0.5000 -2.0000  2.1213
    1    2   36  0.5000 -0.5000 -2.0000  2.1213
    1    2   39 -0.5000  0.5000 -2.0000  2.1213
    1    2   65  0.5000  0.5000 -2.0000  2.1213
    1    4    8  0.0000 -1.5000 -1.5000  2.1213
    1    3   13 -1.5000  0.0000 -1.5000  2.1213
    1    3   42  1.5000  0.0000 -1.5000  2.1213
    1    4   48  0.0000  1.5000 -1.5000  2.1213
    1    3   29 -0.5000 -2.0000 -0.5000  2.1213
    1    3   33  0.5000 -2.0000 -0.5000  2.1213
    1    4   31 -2.0000 -0.5000 -0.5000  2.1213
    1    4   30  2.0000 -0.5000 -0.5000  2.1213
    1    4   34 -2.0000  0.5000 -0.5000  2.1213
    1    4   41  2.0000  0.5000 -0.5000  2.1213
    1    3   32 -0.5000  2.0000 -0.5000  2.1213
    1    3   50  0.5000  2.0000 -0.5000  2.1213
    1    2   10 -1.5000 -1.5000  0.0000  2.1213
    1    2   37  1.5000 -1.5000  0.0000  2.1213
    1    2   38 -1.5000  1.5000  0.0000  2.1213
    1    2   92  1.5000  1.5000  0.0000  2.1213
    1    3   40 -0.5000 -2.0000  0.5000  2.1213
    1    3   59  0.5000 -2.0000  0.5000  2.1213
    1    4   55 -2.0000 -0.5000  0.5000  2.1213
    1    4   46  2.0000 -0.5000  0.5000  2.1213
    1    4   80 -2.0000  0.5000  0.5000  2.1213
    1    4   62  2.0000  0.5000  0.5000  2.1213
    1    3   56 -0.5000  2.0000  0.5000  2.1213
    1    3   74  0.5000  2.0000  0.5000  2.1213
    1    4   54  0.0000 -1.5000  1.5000  2.1213
    1    3   43 -1.5000  0.0000  1.5000  2.1213
    1    3   90  1.5000  0.0000  1.5000  2.1213
    1    4   85  0.0000  1.5000  1.5000  2.1213
    1    2   27 -0.5000 -0.5000  2.0000  2.1213
    1    2   35  0.5000 -0.5000  2.0000  2.1213
    1    2   49 -0.5000  0.5000  2.0000  2.1213
    1    2   77  0.5000  0.5000  2.0000  2.1213
    1    1   53  0.0000 -1.0000 -2.0000  2.2361
    1    1   44 -1.0000  0.0000 -2.0000  2.2361
    1    1   36  1.0000  0.0000 -2.0000  2.2361
    1    1   39  0.0000  1.0000 -2.0000  2.2361
    1    1   45  0.0000 -2.0000 -1.0000  2.2361
    1    1   51 -2.0000  0.0000 -1.0000  2.2361
    1    1   42  2.0000  0.0000 -1.0000  2.2361
    1    1   48  0.0000  2.0000 -1.0000  2.2361
    1    1   47 -1.0000 -2.0000  0.0000  2.2361
    1    1   33  1.0000 -2.0000  0.0000  2.2361
    1    1   52 -2.0000 -1.0000  0.0000  2.2361
    1    1   37  2.0000 -1.0000  0.0000  2.2361
    1    1   34 -2.0000  1.0000  0.0000  2.2361
    1    1   41  2.0000  1.0000  0.0000  2.2361
    1    1   38 -1.0000  2.0000  0.0000  2.2361
    1    1   50  1.0000  2.0000  0.0000  2.2361
    1    1   40  0.0000 -2.0000  1.0000  2.2361
    1    1   55 -2.0000  0.0000  1.0000  2.2361
    1    1   46  2.0000  0.0000  1.0000  2.2361
    1    1   56  0.0000  2.0000  1.0000  2.2361
    1    1   54  0.0000 -1.0000  2.0000  2.2361
    1    1   43 -1.0000  0.0000  2.0000  2.2361
    1    1   35  1.0000  0.0000  2.0000  2.2361
    1    1   49  0.0000  1.0000  2.0000  2.2361
 Clusters from clsgen_tb:
CLSGEN_TB: Atom    1 Refpot    1 Rmtref 2.3859000 TB-cluster    1 Sites  201
CLSGEN_TB: Atom    2 Refpot    1 Rmtref 2.3859000 TB-cluster    1 Sites  201
CLSGEN_TB: Atom    3 Refpot    1 Rmtref 2.3859000 TB-cluster    1 Sites  201
CLSGEN_TB: Atom    4 Refpot    1 Rmtref 2.3859000 TB-cluster    1 Sites  201
  Sub clsgen_tb  exiting <<<<<<<<<<<<<
