##########################################
This is the Voronoi program
Code version: v1.0-6-gf0c2ac3
Compile options:serial-O2 -r8 -traceback -i8-mkl -Wl,-stack_size,0x40000000,-stack_addr,0xf0000000
serial number for files:voro_v1.0-6-gf0c2ac3_serial_20171207092915
##########################################

**********************************************************
*         SCREENED KKR POTENTIAL PREPARATION  UTILITY    *
*                                                        *
**********************************************************
 Begin Structure
 Surface geometry
 readinput: CARTESIAN= T
 NAEZ=                     6
*** SLAB - INTERFACE CALCULATION ***

Number of LEFT  Host Layers :    10 with     1 basis
Number of RIGHT Host Layers :    10 with     1 basis
Left  side periodicity :    0.00000   0.70711  -0.70711
Right side periodicity :    0.00000  -0.70711   0.70711
    Geommetry used : 
 ATOM       TX          TY          TZ 
--------------- Left  Host -------------- 
   10    0.000000    7.778177   -7.071070
    9    0.000000    7.071070   -6.363963
    8    0.000000    6.363963   -5.656856
    7    0.000000    5.656856   -4.949749
    6    0.000000    4.949749   -4.242642
    5    0.000000    4.242642   -3.535535
    4    0.000000    3.535535   -2.828428
    3    0.000000    2.828428   -2.121321
    2    0.000000    2.121321   -1.414214
    1    0.000000    1.414214   -0.707107
---------------   S L A B  -------------- 
    1    0.000000    0.707107    0.000000
    2    0.000000    0.000000    0.707107
    3    0.000000    0.707107    1.414214
    4    0.000000    0.000000    2.121320
    5    0.000000    0.707107    2.828427
    6    0.000000    0.000000    3.535534
--------------- Right Host -------------- 
    1    0.000000   -0.707107    4.242641
    2    0.000000   -1.414214    4.949748
    3    0.000000   -2.121321    5.656855
    4    0.000000   -2.828428    6.363962
    5    0.000000   -3.535535    7.071069
    6    0.000000   -4.242642    7.778176
    7    0.000000   -4.949749    8.485283
    8    0.000000   -5.656856    9.192390
    9    0.000000   -6.363963    9.899497
   10    0.000000   -7.071070   10.606604
 Begin define volume weights
 End Define volume weights
 End Structure
 Parameters Used for the cluster calculation
 Clusters inside spheres with radius R =    1.50000000000000     
 RBASIS
     0.00000000     0.70710700     0.00000000     1
     0.00000000     0.00000000     0.70710700     2
     0.00000000     0.70710700     1.41421400     3
     0.00000000     0.00000000     2.12132000     4
     0.00000000     0.70710700     2.82842700     5
     0.00000000     0.00000000     3.53553400     6
 
     0.00000000     1.41421400    -0.70710700     7     0
     0.00000000    -0.70710700     4.24264100     8     0
 NATYP not found, setting NATYP=NAEZ.
NAEZ=    6 ; NATYP=    6 ; NSPIN= 2
 NATYP 
   6
   Z lmx     KFG cls pot ntc  MTFAC irns   MT Size
---+---------------------------------------------------------------------------
  0.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
  0.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
 26.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
 26.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
  0.   0    0000   0   0   0  0.0000   0  0.1000E+11  1.0000
  0.   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
                               representive atom no.  5 irns :    0 irnsd : 1399
                               representive atom no.  6 irns :    0 irnsd : 1399
---+--------------+--------------+--------------+------------------------------
 KAOEZ 
   1   2   3   4   5   6
    NCLS    NREF   
       0       0
-------------------------------------------------------------------------------
 TEST OPTIONS:
         //        //        //        //        //        //        //        
         //        //        //        //        //        //        //        

-------------------------------------------------------------------------------
-------------------------------------------------------------------------------
 EXECUTION OPTIONS:
 NEWSOSOL//        //        //        //        //        //        //        
-------------------------------------------------------------------------------
 I12="                                        "
 I13="                                        "
 I19="                                        "
-------+-------+-------+-------------------------------------------------------
  >>>>>>>>> RINPUT99 EXITS NOW <<<<<<<<<< 
 True basis vectors (not normalized):
    5.42351400    0.00000000    0.00000000
    2.71175700    3.83500471    0.00000000
    0.00000000    0.00000000    0.00000000
 Reciprocal lattice vectors, in units 2pi/a:
    1.00000000   -0.70710656    0.00000000
    0.00000000    1.41421312    0.00000000
    0.00000000    0.00000000    0.00000000
 >>> RRGEN: generation of real space mesh rr(nr)
 r        :     13.32
 r**2     :    177.50
 n1,n2,n3 :   12   12    0
   542 real space vectors created.
 position of atoms in unit cell :
--------------- Left  Host -------------- 
   10    0.000000    7.778177   -7.071070    1
    9    0.000000    7.071070   -6.363963    1
    8    0.000000    6.363963   -5.656856    1
    7    0.000000    5.656856   -4.949749    1
    6    0.000000    4.949749   -4.242642    1
    5    0.000000    4.242642   -3.535535    1
    4    0.000000    3.535535   -2.828428    1
    3    0.000000    2.828428   -2.121321    1
    2    0.000000    2.121321   -1.414214    1
    1    0.000000    1.414214   -0.707107    1
---------------   S L A B  -------------- 
    1    0.000000    0.707107    0.000000    1
    2    0.000000    0.000000    0.707107    2
    3    0.000000    0.707107    1.414214    3
    4    0.000000    0.000000    2.121320    4
    5    0.000000    0.707107    2.828427    5
    6    0.000000    0.000000    3.535534    6
--------------- Right Host -------------- 
    1    0.000000   -0.707107    4.242641    1
    2    0.000000   -1.414214    4.949748    1
    3    0.000000   -2.121321    5.656855    1
    4    0.000000   -2.828428    6.363962    1
    5    0.000000   -3.535535    7.071069    1
    6    0.000000   -4.242642    7.778176    1
    7    0.000000   -4.949749    8.485283    1
    8    0.000000   -5.656856    9.192390    1
    9    0.000000   -6.363963    9.899497    1
   10    0.000000   -7.071070   10.606604    1
 >>> CLSGEN99: generation of cluster coordinates
 RCUT =    1.50000000000000       RCUTXY =    1.50000000000000     
 Spherical Clusters are created
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
 clsgen_voronoi: Max. cluster size found:                     27
clsgen_voronoi: Cluster No.    1 sites:   27
    1    1    0  0.0000  0.0000  0.0000  0.0000
    1   -7    0 -0.5000  0.0000 -0.7071  0.8660
    1   -7    5  0.5000  0.0000 -0.7071  0.8660
    1    1    3 -0.5000 -0.7071  0.0000  0.8660
    1    1    1  0.5000 -0.7071  0.0000  0.8660
    1    1    2 -0.5000  0.7071  0.0000  0.8660
    1    1    4  0.5000  0.7071  0.0000  0.8660
    1    2    0 -0.5000  0.0000  0.7071  0.8660
    1    2    5  0.5000  0.0000  0.7071  0.8660
    1   -7    1  0.0000 -0.7071 -0.7071  1.0000
    1   -7    4  0.0000  0.7071 -0.7071  1.0000
    1    1    6 -1.0000  0.0000  0.0000  1.0000
    1    1    5  1.0000  0.0000  0.0000  1.0000
    1    2    1  0.0000 -0.7071  0.7071  1.0000
    1    2    4  0.0000  0.7071  0.7071  1.0000
    1   -7    1  0.0000  0.0000 -1.4142  1.4142
    1   -7    3 -1.0000 -0.7071 -0.7071  1.4142
    1   -7   12  1.0000 -0.7071 -0.7071  1.4142
    1   -7    2 -1.0000  0.7071 -0.7071  1.4142
    1   -7    9  1.0000  0.7071 -0.7071  1.4142
    1    1    8  0.0000 -1.4142  0.0000  1.4142
    1    1    7  0.0000  1.4142  0.0000  1.4142
    1    2    3 -1.0000 -0.7071  0.7071  1.4142
    1    2   12  1.0000 -0.7071  0.7071  1.4142
    1    2    2 -1.0000  0.7071  0.7071  1.4142
    1    2    9  1.0000  0.7071  0.7071  1.4142
    1    3    0  0.0000  0.0000  1.4142  1.4142
 Clusters from clsgen_voronoi:
CLSGEN_VORONOI: Atom    1 Rmthlf 0.4330128 cluster    1 Sites   27
CLSGEN_VORONOI: Atom    2 Rmthlf 0.4330128 cluster    1 Sites   27
CLSGEN_VORONOI: Atom    3 Rmthlf 0.4330124 cluster    1 Sites   27
CLSGEN_VORONOI: Atom    4 Rmthlf 0.4330124 cluster    1 Sites   27
CLSGEN_VORONOI: Atom    5 Rmthlf 0.4330128 cluster    1 Sites   27
CLSGEN_VORONOI: Atom    6 Rmthlf 0.4330128 cluster    1 Sites   27
 Clusters from clsgen_tb in outer region, left:
CLSGEN_VORONOI: Atom    7 Rmthlf 0.4330128 cluster    1 Sites   27
 Clusters from clsgen_tb in outer region, right:
CLSGEN_VORONOI: Atom    8 Rmthlf 0.4330128 cluster    1 Sites   27
  Sub clsgen_voronoi  exiting <<<<<<<<<<<<<
 Preparing neighbours of Site:                     1
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     1
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 Preparing neighbours of Site:                     2
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     2
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 Preparing neighbours of Site:                     3
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     3
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 Preparing neighbours of Site:                     4
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     4
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 Preparing neighbours of Site:                     5
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     5
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 Preparing neighbours of Site:                     6
 Number of considered neighbours is:                   100
 Max. neighbour distance is:   1.41421400000000     
 Entering VORONOI12 for atom=                     6
  Polyhedron properties 
  Number of faces :                     14
 The Volume is :   0.500000309449000     
Voronoi subroutine: RMT=  0.43301279E+00; ROUT=  0.55901713E+00; RATIO=       77.46 %
 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
%    Atom     5  cellref     1 shaperef     1  idshape     1
%    Atom     6  cellref     1 shaperef     1  idshape     1
 Constructing shape                     1  with rep. atom                     1
No. of panels by sub FINDPANELS for shape:    1:    4
      0.4330127912224414      0.5000000000000000      0.5303302226483245      0.5590171327647299
 Suggested number of points before muffintinization:                    68
 Calculating Shape:                     1

--------------------------------------------------
I             SUITABLE RADIAL MESH               I
I             ********************               I
I   IPAN       FROM       TO             POINTS  I
I                                                I
I      1  0.4330127912224414E+00  0.5000000000000000E+00        63   I
I      2  0.5000000000000000E+00  0.5303302226483245E+00        32   I
I      3  0.5303302226483245E+00  0.5590171327647299E+00        30   I
--------------------------------------------------
Faces for polyhedron......      14
Volume ....(alat^3).......    0.50000031
ASA Sphere (a.u.).........    2.67038976
MT  Sphere (a.u.).........    2.34845094
 MTRADIUS,RMTCL   2.34845093537399        2.34845093537399     
 RMT OF SHAPE                     1  REDUCED TO    2.32496642602025     

Your shape function will be updated 
to match to the smaller Muffin Tin sphere.
New RMT (a.u.)............    2.32496643
Percentage Change ........    1.00
 rmt  =    2.32496642602025     
 rmax =    3.03183724578937     
 Shapes construction finished.
 <<<<<<<<<<<<<<<<<<<<<<--->>>>>>>>>>>>>>>>>>>>>
 meshn                   135
 Writing out shape                     1
 *******************************************
  Analyzing lattice finised ...     
  Number of SITES..............                     6
  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
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   5
Shape...   1 has cluster..   1 extra shift..  0.0000  0.0000  0.0000 for atom..   6
  ****** Volume for each atom ******
  RMAX is the maximum radius of the shape,  RMT is updated
 Atom ..    1 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184
 Atom ..    2 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184
 Atom ..    3 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184
 Atom ..    4 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184
 Atom ..    5 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184
 Atom ..    6 Volume(alat^3)  :   0.50000031   RMT :  2.32497   RMAX :  3.03184

Total volume (alat^3)    ...      3.00000186
Total Volume (a.u.^3)   ....    478.59022070

Bravais cross prod.(alat^3):      0.70710700
 
 +++++++++++ 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
 MESHN_ALL(IDSHAPE(IAT))                     5                     1
                   135
 MESHN_ALL(IDSHAPE(IAT))                     6                     1
                   135
  ****  JELLSTART POTENTIALS **** 
 From atom No.                     1 to atom No.                     6
Generating potential for atom     1 at site     1 with shape     1  
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
Generating potential for atom     2 at site     2 with shape     1  
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
Generating potential for atom     3 at site     3 with shape     1  
 Using database ....: ElementDataBase/Fe26.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  26.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Fe26.pots2
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  26.00
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/Fe26.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  26.00
Number of Core   States :   5
All other states are above : -0.4000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Fe26.pots2
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :  26.00
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     5 at site     5 with shape     1  
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
Generating potential for atom     6 at site     6 with shape     1  
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 Using database ....: ElementDataBase/Vac0.pot  
 *************************************
    Potential Interpolation Program   
    Using the Jellium Database v1.0   
 *************************************
Jellium Fermi Energy :   0.40924 Ry
Potential Atomic Number :   0.00
Number of Core   States :   0
All other states are above :  0.0000 Ry in Energy
 **********************************************
 Jellium Potential Read In                   1501  points
 >>> CLSGEN_TB: generation of cluster coordinates
 RCUT =    1.50000000000000       RCUTXY =    1.50000000000000     
 Spherical Clusters are created
 clsgen_tb: cluster size of site:                     1 :                    27
 clsgen_tb: Touching RMT of site:                     1 :
  0.433012791222441     
 clsgen_tb: cluster size of site:                     2 :                    27
 clsgen_tb: Touching RMT of site:                     2 :
  0.433012791222441     
 clsgen_tb: cluster size of site:                     3 :                    27
 clsgen_tb: Touching RMT of site:                     3 :
  0.433012382974205     
 clsgen_tb: cluster size of site:                     4 :                    27
 clsgen_tb: Touching RMT of site:                     4 :
  0.433012382974205     
 clsgen_tb: cluster size of site:                     5 :                    27
 clsgen_tb: Touching RMT of site:                     5 :
  0.433012791222441     
 clsgen_tb: cluster size of site:                     6 :                    27
 clsgen_tb: Touching RMT of site:                     6 :
  0.433012791222441     
 clsgen_tb: cluster size of site:                     7 :                    27
 clsgen_tb: Touching RMT of site:                     7 :
  0.433012791222441     
 clsgen_tb: cluster size of site:                     8 :                    27
 clsgen_tb: Touching RMT of site:                     8 :
  0.433012791222441     
clsgen_voronoi: Cluster No.    1 sites:   27
    1    1    0  0.0000  0.0000  0.0000  0.0000
    1   -7    0 -0.5000  0.0000 -0.7071  0.8660
    1   -7    5  0.5000  0.0000 -0.7071  0.8660
    1    1    3 -0.5000 -0.7071  0.0000  0.8660
    1    1    1  0.5000 -0.7071  0.0000  0.8660
    1    1    2 -0.5000  0.7071  0.0000  0.8660
    1    1    4  0.5000  0.7071  0.0000  0.8660
    1    2    0 -0.5000  0.0000  0.7071  0.8660
    1    2    5  0.5000  0.0000  0.7071  0.8660
    1   -7    1  0.0000 -0.7071 -0.7071  1.0000
    1   -7    4  0.0000  0.7071 -0.7071  1.0000
    1    1    6 -1.0000  0.0000  0.0000  1.0000
    1    1    5  1.0000  0.0000  0.0000  1.0000
    1    2    1  0.0000 -0.7071  0.7071  1.0000
    1    2    4  0.0000  0.7071  0.7071  1.0000
    1   -7    1  0.0000  0.0000 -1.4142  1.4142
    1   -7    3 -1.0000 -0.7071 -0.7071  1.4142
    1   -7   12  1.0000 -0.7071 -0.7071  1.4142
    1   -7    2 -1.0000  0.7071 -0.7071  1.4142
    1   -7    9  1.0000  0.7071 -0.7071  1.4142
    1    1    8  0.0000 -1.4142  0.0000  1.4142
    1    1    7  0.0000  1.4142  0.0000  1.4142
    1    2    3 -1.0000 -0.7071  0.7071  1.4142
    1    2   12  1.0000 -0.7071  0.7071  1.4142
    1    2    2 -1.0000  0.7071  0.7071  1.4142
    1    2    9  1.0000  0.7071  0.7071  1.4142
    1    3    0  0.0000  0.0000  1.4142  1.4142
 Clusters from clsgen_tb:
CLSGEN_TB: Atom    1 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
CLSGEN_TB: Atom    2 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
CLSGEN_TB: Atom    3 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
CLSGEN_TB: Atom    4 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
CLSGEN_TB: Atom    5 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
CLSGEN_TB: Atom    6 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
 Clusters from clsgen_tb in outer region, left:
CLSGEN_TB: Atom    7 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
 Clusters from clsgen_tb in outer region, right:
CLSGEN_TB: Atom    8 Refpot    1 Rmtref 2.3166000 TB-cluster    1 Sites   27
  Sub clsgen_tb  exiting <<<<<<<<<<<<<
