 

          **************************************************************
          *                                                            *
          *        ****   *****   *****   *    *  *    *  *****        *
          *       *    *  *    *  *    *  *   *   *   *   *    *       *
          *       *       *    *  *    *  *  *    *  *    *    *       *
          *        ****   *****   *****   * *     * *     *****        *
          *            *  *       *  *    ** *    ** *    *  *         *
          *       *    *  *       *   *   *   *   *   *   *   *        *
          *        ****   *       *    *  *    *  *    *  *    *       *
          *                                                            *
          *------------------------------------------------------------*
          *       KKRCHI  VERSION  9.4            (C) 2025  H. Ebert   *
          **************************************************************


          programm execution  on    10/12/2025    at   11:41:02

          Git branch       : master
          Git hash         : 9e5eee7256b90a8d37175e0bc6d09ce97d04d4a2
          Date of commit   : Sat Jul 12 11:49:13 2025 +0200
          Files changed as compared to commit (hash above): gitstamp.f gitstamp.sh 
          Compiled on      : Linux login01 5.14.21-150500.55.65_13.0.73-cray_shasta_c_64k GNU/Linux
          Date of compile  : Mon Nov 17 07:54:41 UTC 2025"   //

          MPI calculation with NPROCS = 72

          input file       : SIGMA.inp


 *******************************************************************************
                                 <GETLRECREAL>
 *******************************************************************************

          record length parameter for REAL's   LRECREAL8 =  8
          a double precision real*8 is stored in 8 Bytes              



 *******************************************************************************
                                    <POTRD2>
 *******************************************************************************


          system dimension: 3D        
          system type:      BULK                          
          SCF status:       CONVERGED 



 *******************************************************************************
                               <INIT_MOD_LATTICE>
 *******************************************************************************

          initialize the module <MOD_LATTICE> according to SYSDIM = 3D

          set up basis vectors for reciprocal space 


          real space Bravais lattice: cubic       body-centered  m3m    O_h 

          primitive vectors for real space Bravais lattice

            (  -0.50000,   0.50000,   0.50000 )
            (   0.50000,  -0.50000,   0.50000 )
            (   0.50000,   0.50000,  -0.50000 )

          basis vectors in units of a

            (   0.00000,   0.00000,   0.00000 )

          primitive vectors of reciprocal space Bravais lattice
                 in units of 2*pi/a

            (   0.00000,   1.00000,   1.00000 )
            (   1.00000,   0.00000,   1.00000 )
            (   1.00000,   1.00000,   0.00000 )


 *******************************************************************************
                                   <SYMINIT>
 *******************************************************************************

          set up possible symmetry operations for the 
          real space Bravais lattice: cubic       body-centered  m3m    O_h 

 *******************************************************************************
 *******************************************************************************
          use of symmetry suppressed for testing

 *******************************************************************************
 *******************************************************************************


          crystal system   7     CUB

          symmetry operations to scan       NSYM  48
          maximum possible symmetry operations     1

           T F F F F F F F F F F F F F F F F F F F F F F F
           F F F F F F F F F F F F F F F F F F F F F F F F


 *******************************************************************************
                                  <SYMLATTICE>
 *******************************************************************************

          find out symmetry properties of the lattice


          crystal system accepted symmetry operations       1
          accepted symmetry operations   NSYMACCEPTED       1
          operations NSYM (loops)        NSYM              48
          operations NSYM w/o INV        NSYM_WO_INV       48


       I    Euler angles  INV SYMBOL TIM     shift  ->DQ     Q' 
       1     0    0    0       E           0.00  0.00  0.00   1

          the detected   1 symmetry operations form a group


          BZ-wedges to be treated  NWEDGE   1
          created by operations  
           1  E   


 *******************************************************************************
                                    <SYMROT>
 *******************************************************************************

          set up of rotation matrices  DROT  for IREL = 3

          CHECK of rotation matrices   DROT  for COMPLEX spherical harmonics
          comparison of analytical and numerical results
          out of 15000 elements     0 deviate more than TOL =   1.0E-08
          maximum deviation found:    3.4E-06



 *******************************************************************************
                                  <INIT_RADII>
 *******************************************************************************


                   muffin tin and Wigner-Seitz radii

                   IM    RMT               RWS     final setting in  <INIT_RADII>
                    1  2.51619672016280  2.86113107459604


 *******************************************************************************
                                 <POTRDSPR>
 *******************************************************************************

          POTFMTINP =  9

 SPR-KKR dataset created by KKRSCF                                               

          radial mesh parameters:

          IM    JRMT   R(JRMT)    RMT      JRWS    RWS       DX
           1    714   2.47609   2.51620    721   2.86113   0.020648233

          Bravais lattice:                cubic       body-centered
          lattice constant  ALAT               5.81091
          number of sites   NQ                       1
          average Wigner-Seitz radius          2.86113



          potential data for IT =  1 ..   3
          =================================

    1    0.000001  -25.999933   -0.000000    -43.999856   -0.000000    -45.999847   -0.000000
   31    0.000002  -25.999875    0.000000    -43.999733   -0.000000    -45.999715   -0.000000
   61    0.000003  -25.999768    0.000000    -43.999503    0.000000    -45.999469    0.000000
   91    0.000006  -25.999568    0.000000    -43.999075    0.000000    -45.999012    0.000000
  121    0.000012  -25.999197    0.000000    -43.998278    0.000000    -45.998162    0.000000
  151    0.000022  -25.998508    0.000000    -43.996796    0.000000    -45.996580    0.000000
  181    0.000041  -25.997226    0.000000    -43.994038    0.000000    -45.993635    0.000000
  211    0.000076  -25.994843    0.000000    -43.988906    0.000000    -45.988154    0.000000
  241    0.000142  -25.990411    0.000000    -43.979353    0.000000    -45.977950    0.000000
  271    0.000264  -25.982167    0.000000    -43.961565    0.000000    -45.958949    0.000000
  301    0.000490  -25.966826    0.000000    -43.928426    0.000000    -45.923546    0.000000
  331    0.000910  -25.938258    0.000000    -43.866632    0.000000    -45.857518    0.000000
  361    0.001691  -25.884987    0.000000    -43.751230    0.000000    -45.734192    0.000000
  391    0.003143  -25.785454    0.000000    -43.535322    0.000000    -45.503436    0.000000
  421    0.005839  -25.599021    0.000000    -43.131061    0.000000    -45.071447    0.000000
  451    0.010848  -25.249476    0.000000    -42.378120    0.000000    -44.267636    0.000000
  481    0.020154  -24.598899    0.000000    -41.008087    0.000000    -42.808887    0.000000
  511    0.037444  -23.425403    0.000000    -38.654366    0.000000    -40.313869    0.000000
  541    0.069567  -21.461082    0.000000    -34.942692    0.000000    -36.393147    0.000000
  571    0.129249  -18.497007    0.000000    -29.601788    0.000000    -30.772547    0.000000
  601    0.240131  -14.438615    0.000000    -22.819983    0.000000    -23.659205    0.000000
  631    0.446139   -9.597347    0.000000    -15.554233    0.000000    -16.001758    0.000000
  661    0.828882   -5.163943   -0.000000     -8.551888    0.000000     -8.561139    0.000000
  691    1.539981   -1.797075   -0.000000     -2.787788   -0.000000     -2.639638   -0.000000
  721    2.861131    0.084890   -0.000000     -0.122667   -0.000000      0.050045   -0.000000
  721    2.861131    0.084890   -0.000000     -0.122667   -0.000000      0.050045   -0.000000

          potential data for IT =  4 ..   4
          =================================

    1    0.000001  -47.999837   -0.000000
   31    0.000002  -47.999696    0.000000
   61    0.000003  -47.999435    0.000000
   91    0.000006  -47.998948   -0.000000
  121    0.000012  -47.998043    0.000000
  151    0.000022  -47.996357    0.000000
  181    0.000041  -47.993219    0.000000
  211    0.000076  -47.987378    0.000000
  241    0.000142  -47.976503    0.000000
  271    0.000264  -47.956250    0.000000
  301    0.000490  -47.918508    0.000000
  331    0.000910  -47.848108    0.000000
  361    0.001691  -47.716597    0.000000
  391    0.003143  -47.470505   -0.000000
  421    0.005839  -47.009897   -0.000000
  451    0.010848  -46.153685    0.000000
  481    0.020154  -44.603887    0.000000
  511    0.037444  -41.964178   -0.000000
  541    0.069567  -37.828462    0.000000
  571    0.129249  -31.918209    0.000000
  601    0.240131  -24.454870    0.000000
  631    0.446139  -16.372577    0.000000
  661    0.828882   -8.484533   -0.000000
  691    1.539981   -2.468819   -0.000000
  721    2.861131    0.217976   -0.000000
  721    2.861131    0.217976   -0.000000
  

                   spin-polarized calculation

                   SELFENERGY applied:NONE      


   number of lattice sites (NQ):   1

   site NL mesh MGAM MTET MPHI   RWS  CPA NOQ IT ELMT VAL CONC QREP SYMG eq.sit.
     1   5   1     0    0    0 2.8611  1   4                     1    1   1
                                               1 Al     3 0.25
                                               2 Ti     4 0.25
                                               3 V      5 0.25
                                               4 Cr     6 0.25
   average                     2.8611          total    4.50

   KMROT:     0   no M-rotation          MOMENTS_ROTATED:  F
   QMVEC:   0.000  0.000  0.000



   number of atomic types  (NT):   4

   type TXTT   NL VAL COR mesh    RMT     RWS   NAT  CONC  on sites
     1  Al      5   3  10   1   2.5162  2.8611   1  0.250   1
     2  Ti      5   4  18   1   2.5162  2.8611   1  0.250   1
     3  V       5   5  18   1   2.5162  2.8611   1  0.250   1
     4  Cr      5   6  18   1   2.5162  2.8611   1  0.250   1




 mmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmmm

          FULLY relativistic calculation 

          the  BREIT interaction  will be ignored

          the  ORBITAL POLARISATION  will be ignored

          solver for     spherical Dirac equation: BS           TOL = 2.0E-08

          solver for spherical equation:     BS        


          SWS =  2.861131     ALAT =  5.810907

          NQ =  1     NL =  5     NLM =  25   NQ*NLM =  25
                      NK =  9     NKM =  50     NKKR =  50     NLIN =  90

          POTFMTINP = 9     POTFMTOUT = 9
          RDTAU     = F
          WRTAU     = F
          PLOTPOT   = F     PLOTRHO   = F     PLOTSFN   = F
          PLOT2DPOT = F     PLOT2DRHO = F
          IPRINT    = 0     ITEST     = 0     WRMAT     = F
          INITELOOP = T     RUNELOOP  = T     SPLITSS   = F
          adjusted          BRAVAIS   = F
          symmetrized       BASIS     = F
          optimized         BASIS     = F
          NO_SYM for        HOST      = T     CLU       = F     LINRESP   = T
          symmetrize        MSS       = T     TAU       = F
                            RHO       = T     POT       = F
          LLOYD      = F
          GF_CONV_RH = F
          NONMAG     = F
          FULLPOT    = F
          FULLCHARGE = F

          TASK       = SIGMA     

          SYSDIM     = 3D        
          SYSTYPE    = BULK                          
          SUBSYSTEM  = BULK                          
          KKRMODE    = STANDARD-KKR                  

 eeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeee

          energy path:  STRAIGHT CPLX. PATH PARA. TO REAL AXIS  
          energies  :           1
          E_min     :    0.697825
          E_max     :    0.697825
          Im(E)     :    0.000000
          E_Fermi   :    0.697825
  

 *******************************************************************************
                                   <STRINIT>
 *******************************************************************************

          parameters for calculation of structure constants:

          primitive vectors for Bravais lattice

            (  -0.50000,   0.50000,   0.50000 )
            (   0.50000,  -0.50000,   0.50000 )
            (   0.50000,   0.50000,  -0.50000 )

          basis vectors in units of a

            (   0.00000,   0.00000,   0.00000 )

          primitive vectors of reciprocal space
                 in units of 2*pi/a

            (   0.00000,   1.00000,   1.00000 )
            (   1.00000,   0.00000,   1.00000 )
            (   1.00000,   1.00000,   0.00000 )

          number of inequivalent QQP-block-matrices  NQQP_STR     =       1
          reduced number of inequiv. block-matrices  NQQP_STR_RED =       1



          RMAX  =    3.0388          GMAX  =    3.6179
          RMAX1 =    0.0000          GMAX1 =    1.4142
          RA    =    3.0388          GA    =    3.6179

          NUMR  =         9          NUMG  =         7
          NRDL  =       259          NGRL  =       225

          for LMAX = 4  1181 non-zero GAUNTS tabulated


 *******************************************************************************
            array sizes for calculation of structure constants
 *******************************************************************************
                                          used              available
          G-vectors table       NGRL       225        NGRLMAX     729
          R-vectors table       NRDL       259        NRDLMAX    1331
          R-vectors (max.)      SMAX       259        NSDL        259
          R-vectors (min.)      SMAX       259
          l-max + 1             NL           5        NLMAX         5
          sites                 NQ_STR       1        NQMAX         1
          q-q'-blocks           NQQP_STR     1        LIMIT         1
          auxilary array        R123MAX      4
          auxilary array        G123MAX      3
          Davis eq. (13)        J13MAX     113        LIMIT       300
          Davis eq. (22)        J22MAX      30        LIMIT       150
          Gaunts                LRGNT12    325
          Gaunts                LRGNT123  1181
          Ewald parameter       ETA       0.31
 *******************************************************************************


          <INIT_MOD_STR>: section 1 of module MOD_STR initialized
          allocated        2271  integers        203871  reals (incl. complex)
          corresp. to         0  Mbytes               1  Mbytes


 ttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttttt

          parameters for k-space integration:
          NWEDGE:   1  wedges:  1

 ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc

          parameters for CPA-iteration:
          algorithm                        MILLS - m
          start iteration by               ATA      

          max. number of CPA iterations         1000
          CPA - tolerance             0.000000100000
  

 fffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffffff

          FILES:

          potential :  ( 4) AlTiVCr.pot_new
  

          Linear response calculation for  TASK = SIGMA     

          ALLTKTK   =   T
          (E_a=E_b) =   F
          KTKTK     =   3
          KMESHSYM  =   0
          NOSYMCHI  =   T


          no symmtry used for linear response calculation




          **************************************************************
          *                                                            *
          *            ****   ***   ****   *     *    ***              *
          *           *    *   *   *    *  **   *    *   *             *
          *           *        *   *       * * * *  *     *            *
          *            ****    *   *  ***  *  *  *  *******            *
          *                *   *   *    *  *     *  *     *            *
          *           *    *   *   *    *  *     *  *     *            *
          *            ****   ***   ****   *     *  *     *            *
          *                                                            *
          **************************************************************




 *******************************************************************************
                                 <THERMAL_INIT>
 *******************************************************************************


     No. of displacements:           1
     mode to set dirs INIT_SVEC      0
     type-dependent  RMSU_SCALE      F
     Debye temperature:         406.00 [K]

     FLUCT_DIR_SETTING: not set   
     allowed input: SETFLUCT = M_T, MCS, RDLM, MLIN
     N_TEMP_LAT:                 1
     TEMP_LAT_MIN:           0.000
     TEMP_LAT_MAX:           0.000


 ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc

          parameters for CPA-iteration:
          algorithm                        MILLS - m
          start iteration by               ATA      

          max. number of CPA iterations         1000
          CPA - tolerance             0.000000100000
  
       1 temperatures in the range  T =     0.00 --     0.00 [K]

     NO thermal lattice vibrations NOR spin fluctuations to deal with

     setting of parameters and array dimensions

     NVIBFLU  =     1      NT      =     4
     NVT      =     4      NVTMAX  =     4
     NFT      =     4      NFTMAX  =     4
     NVFT     =     4      NVFTMAX =     4


 *******************************************************************************
                                  <CALC_VOL_AC>
              setting the volume VOL_AC for the atomic cells
 *******************************************************************************

           1        31.37707242     98.10742386
          SUM                       98.10742386
          VOLUC                     98.10742386

          <SIG> number of chosen operators:    12

          <SIG> operators:   1  alpha     alpha   (electrical conductivity)
          <SIG> operators:   2  polarization Bargmann-Wigner x
          <SIG> operators:   3  polarization Bargmann-Wigner y
          <SIG> operators:   4  polarization Bargmann-Wigner z
          <SIG> operators:   5  polarization Bargmann-Wigner x,  nabla
          <SIG> operators:   6  polarization Bargmann-Wigner y,  nabla
          <SIG> operators:   7  polarization Bargmann-Wigner z,  nabla
          <SIG> operators:   8  SOT spin-orbit torque
          <SIG> operators:   9  nabla     nabla   (electrical conductivity)
          <SIG> operators:  10  sigma     alpha   (spin Edelstein effect)
          <SIG> operators:  11  orbital   alpha   (orbital Edelstein effect)
          <SIG> operators:  12  hyperfine alpha   (hyperfine Edelstein effect)

*******************************************************************************
*******************************************************************************
                              ENERGY LOOP SIGMA
*******************************************************************************
*******************************************************************************


*******************************************************************************
          calling SIG_DRV_KMESH
*******************************************************************************

          regular k-mesh used for point sampling

          k-vectors to start  NKPTS0            150000
          k-vectors full BZ   NKTAB_FULL_BZ     148877
          mesh parameters     NBGL                53   53   53
          k-vectors created   NKTAB             148877
          array size (NKTABMAX)                 216000

          Master sending          2067 kpoints to process number    1
          Master sending          2067 kpoints to process number    2
          Master sending          2067 kpoints to process number    3
          Master sending          2067 kpoints to process number    4
          Master sending          2067 kpoints to process number    5
          Master sending          2067 kpoints to process number    6
          Master sending          2067 kpoints to process number    7
          Master sending          2067 kpoints to process number    8
          Master sending          2067 kpoints to process number    9
          Master sending          2067 kpoints to process number   10
          Master sending          2067 kpoints to process number   11
          Master sending          2067 kpoints to process number   12
          Master sending          2067 kpoints to process number   13
          Master sending          2067 kpoints to process number   14
          Master sending          2067 kpoints to process number   15
          Master sending          2067 kpoints to process number   16
          Master sending          2067 kpoints to process number   17
          Master sending          2067 kpoints to process number   18
          Master sending          2067 kpoints to process number   19
          Master sending          2067 kpoints to process number   20
          Master sending          2067 kpoints to process number   21
          Master sending          2067 kpoints to process number   22
          Master sending          2067 kpoints to process number   23
          Master sending          2067 kpoints to process number   24
          Master sending          2067 kpoints to process number   25
          Master sending          2067 kpoints to process number   26
          Master sending          2067 kpoints to process number   27
          Master sending          2067 kpoints to process number   28
          Master sending          2067 kpoints to process number   29
          Master sending          2067 kpoints to process number   30
          Master sending          2067 kpoints to process number   31
          Master sending          2067 kpoints to process number   32
          Master sending          2067 kpoints to process number   33
          Master sending          2067 kpoints to process number   34
          Master sending          2067 kpoints to process number   35
          Master sending          2067 kpoints to process number   36
          Master sending          2067 kpoints to process number   37
          Master sending          2067 kpoints to process number   38
          Master sending          2067 kpoints to process number   39
          Master sending          2067 kpoints to process number   40
          Master sending          2067 kpoints to process number   41
          Master sending          2067 kpoints to process number   42
          Master sending          2067 kpoints to process number   43
          Master sending          2067 kpoints to process number   44
          Master sending          2067 kpoints to process number   45
          Master sending          2067 kpoints to process number   46
          Master sending          2067 kpoints to process number   47
          Master sending          2067 kpoints to process number   48
          Master sending          2067 kpoints to process number   49
          Master sending          2067 kpoints to process number   50
          Master sending          2067 kpoints to process number   51
          Master sending          2067 kpoints to process number   52
          Master sending          2067 kpoints to process number   53
          Master sending          2067 kpoints to process number   54
          Master sending          2067 kpoints to process number   55
          Master sending          2067 kpoints to process number   56
          Master sending          2067 kpoints to process number   57
          Master sending          2067 kpoints to process number   58
          Master sending          2067 kpoints to process number   59
          Master sending          2067 kpoints to process number   60
          Master sending          2067 kpoints to process number   61
          Master sending          2067 kpoints to process number   62
          Master sending          2067 kpoints to process number   63
          Master sending          2067 kpoints to process number   64
          Master sending          2067 kpoints to process number   65
          Master sending          2067 kpoints to process number   66
          Master sending          2067 kpoints to process number   67
          Master sending          2067 kpoints to process number   68
          Master sending          2067 kpoints to process number   69
          Master sending          2067 kpoints to process number   70
          Master sending          2120 kpoints to process number   71
          Master sending          2067 kpoints to process number    0


 *******************************************************************************
                                    <SYMTAU>
 *******************************************************************************

          BZ-integral   Int d^3k  TAU(k)[L1,L2] 

          non-0 TAU-elements           2500   Q:   2500
          array size (NELMTMAX)        2500
          terms to sum up              2500
          array size (SNTAUUVMAX)     25000

          TAU-elements     NELMT:     2500   2500

*******************************************************************************
*******************************************************************************
                              energy loop
*******************************************************************************
*******************************************************************************

                         EFERMI =   0.69782
          IEB  =   1     ERYDB  =   0.69782   0.000000000000000
          IEA  =   1     ERYDA  =   0.69782   0.000000000000000
          IE   =   1

 alpha     alpha   (electrical conductivity)                                    


 J - matrix elements for component IT=  1


 J - matrix elements for component IT=  2


 J - matrix elements for component IT=  3


 J - matrix elements for component IT=  4


 *******************************************************************************
                                     <SIGOFF>
 *******************************************************************************


          ============
            IQ =   1
          ============


 ***************************************
           alpha     alpha   (electrical conductivity)                                    
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (  0.679202E+01 0.0000E+00  |            0               |            0              )
  (           0               |   0.679202E+01 0.0000E+00  |            0              )
  (           0               |            0               |   0.679202E+01 0.0000E+00 )

<SIG> printing SIG1QQ_SURF_NV
  (  0.572791E+01 0.0000E+00  |            0               |            0              )
  (           0               |   0.572791E+01 0.0000E+00  |            0              )
  (           0               |            0               |   0.572791E+01 0.0000E+00 )

<SIG> printing SIG1QQ_SURF_VC
  (  0.601805E+01 0.0000E+00  |            0               |  -0.102945E-09 0.0000E+00 )
  (           0               |   0.601805E+01 0.0000E+00  |  -0.102944E-09 0.0000E+00 )
  ( -0.102924E-09 0.0000E+00  |  -0.102923E-09 0.0000E+00  |   0.601805E+01 0.0000E+00 )

 ***************************************
           polarization Bargmann-Wigner x                                                 
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |   0.132560E-09 0.0000E+00  |            0              )
  ( -0.132839E-09 0.0000E+00  |            0               |  -0.860285E+01 0.0000E+00 )
  (           0               |   0.860285E+01 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |            0              )
  (           0               |            0               |   0.185755E+00 0.0000E+00 )
  (           0               |  -0.185755E+00 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |            0              )
  (           0               |            0               |   0.190435E+00 0.0000E+00 )
  (           0               |  -0.190435E+00 0.0000E+00  |            0              )

 ***************************************
           polarization Bargmann-Wigner y                                                 
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |   0.132838E-09 0.0000E+00  |   0.860285E+01 0.0000E+00 )
  ( -0.132559E-09 0.0000E+00  |            0               |            0              )
  ( -0.860285E+01 0.0000E+00  |            0               |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |  -0.185755E+00 0.0000E+00 )
  (           0               |            0               |            0              )
  (  0.185755E+00 0.0000E+00  |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |  -0.190435E+00 0.0000E+00 )
  (           0               |            0               |            0              )
  (  0.190435E+00 0.0000E+00  |            0               |            0              )

 ***************************************
           polarization Bargmann-Wigner z                                                 
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |  -0.860285E+01 0.0000E+00  |  -0.129767E-09 0.0000E+00 )
  (  0.860285E+01 0.0000E+00  |            0               |   0.129767E-09 0.0000E+00 )
  (  0.129522E-09 0.0000E+00  |  -0.129522E-09 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |   0.185755E+00 0.0000E+00  |            0              )
  ( -0.185755E+00 0.0000E+00  |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |   0.190435E+00 0.0000E+00  |            0              )
  ( -0.190435E+00 0.0000E+00  |            0               |            0              )
  (           0               |            0               |            0              )

 ***************************************
           polarization Bargmann-Wigner x,  nabla                                         
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |   0.132560E-09 0.0000E+00  |            0              )
  ( -0.143708E-09 0.0000E+00  |            0               |  -0.416074E+01 0.0000E+00 )
  (           0               |   0.416074E+01 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |            0              )
  (           0               |            0               |   0.185756E+00 0.0000E+00 )
  (           0               |  -0.185756E+00 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |            0              )
  (           0               |            0               |   0.190436E+00 0.0000E+00 )
  (           0               |  -0.190436E+00 0.0000E+00  |            0              )

 ***************************************
           polarization Bargmann-Wigner y,  nabla                                         
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |   0.143708E-09 0.0000E+00  |   0.416074E+01 0.0000E+00 )
  ( -0.132559E-09 0.0000E+00  |            0               |            0              )
  ( -0.416074E+01 0.0000E+00  |            0               |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |  -0.185756E+00 0.0000E+00 )
  (           0               |            0               |            0              )
  (  0.185756E+00 0.0000E+00  |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |  -0.190436E+00 0.0000E+00 )
  (           0               |            0               |            0              )
  (  0.190436E+00 0.0000E+00  |            0               |            0              )

 ***************************************
           polarization Bargmann-Wigner z,  nabla                                         
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |  -0.416074E+01 0.0000E+00  |  -0.140637E-09 0.0000E+00 )
  (  0.416074E+01 0.0000E+00  |            0               |   0.140637E-09 0.0000E+00 )
  (  0.129522E-09 0.0000E+00  |  -0.129522E-09 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |   0.185756E+00 0.0000E+00  |            0              )
  ( -0.185756E+00 0.0000E+00  |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |   0.190436E+00 0.0000E+00  |            0              )
  ( -0.190436E+00 0.0000E+00  |            0               |            0              )
  (           0               |            0               |            0              )

 ***************************************
           SOT spin-orbit torque                                                          
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

 ***************************************
           nabla     nabla   (electrical conductivity)                                    
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (  0.679203E+01 0.0000E+00  |            0               |            0              )
  (           0               |   0.679203E+01 0.0000E+00  |            0              )
  (           0               |            0               |   0.679203E+01 0.0000E+00 )

<SIG> printing SIG1QQ_SURF_NV
  (  0.572792E+01 0.0000E+00  |            0               |            0              )
  (           0               |   0.572792E+01 0.0000E+00  |            0              )
  (           0               |            0               |   0.572792E+01 0.0000E+00 )

<SIG> printing SIG1QQ_SURF_VC
  (  0.601805E+01 0.0000E+00  |            0               |  -0.102945E-09 0.0000E+00 )
  (           0               |   0.601805E+01 0.0000E+00  |  -0.102944E-09 0.0000E+00 )
  ( -0.102924E-09 0.0000E+00  |  -0.102923E-09 0.0000E+00  |   0.601805E+01 0.0000E+00 )

 ***************************************
           sigma     alpha   (spin Edelstein effect)                                      
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

<SIG> printing SIG1QQ_SURF_VC
  ( -0.170016E-09 0.0000E+00  |  -0.358776E-09 0.0000E+00  |            0              )
  (  0.357889E-09 0.0000E+00  |   0.171618E-09 0.0000E+00  |            0              )
  ( -0.101892E-08 0.0000E+00  |   0.101876E-08 0.0000E+00  |            0              )

 ***************************************
           orbital   alpha   (orbital Edelstein effect)                                   
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  (           0               |  -0.713202E-09 0.0000E+00  |   0.702054E-09 0.0000E+00 )
  (  0.713213E-09 0.0000E+00  |            0               |  -0.702104E-09 0.0000E+00 )
  ( -0.703140E-09 0.0000E+00  |   0.703131E-09 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |   0.119254E-09 0.0000E+00  |  -0.119217E-09 0.0000E+00 )
  ( -0.119253E-09 0.0000E+00  |            0               |   0.119222E-09 0.0000E+00 )
  (  0.119219E-09 0.0000E+00  |  -0.119226E-09 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_VC
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )
  (           0               |            0               |            0              )

 ***************************************
           hyperfine alpha   (hyperfine Edelstein effect)                                 
 ***************************************
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-

<SIG> printing FSURF contribs

<SIG> printing SIG0Q_SURF
  ( -0.131097E-08 -.2604E-08  |   0.492791E-08 0.2131E-07  |  -0.281774E-08 -.2239E-07 )
  ( -0.491943E-08 -.2126E-07  |   0.132662E-08 0.2647E-08  |   0.278109E-08 0.2242E-07 )
  (  0.439268E-08 0.2103E-07  |  -0.441741E-08 -.2105E-07  |            0              )

<SIG> printing SIG1QQ_SURF_NV
  (           0               |   0.209385E-07 0.0000E+00  |  -0.209406E-07 0.0000E+00 )
  ( -0.209334E-07 0.0000E+00  |            0               |   0.209385E-07 0.0000E+00 )
  (  0.209215E-07 0.0000E+00  |  -0.209406E-07 0.0000E+00  |            0              )

<SIG> printing SIG1QQ_SURF_VC
  ( -0.529704E-08 0.0000E+00  |   0.298949E-08 0.0000E+00  |  -0.167293E-07 0.0000E+00 )
  ( -0.303292E-08 0.0000E+00  |   0.537200E-08 0.0000E+00  |   0.167414E-07 0.0000E+00 )
  ( -0.297256E-07 0.0000E+00  |   0.297153E-07 0.0000E+00  |            0              )
 Complete conductivity
     ****************************************
     ****************************************
        alpha     alpha   (electrical conductivity)
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.32496773     0.32496773    0.00747401          0.33249853    0.00764721       0.33249853    0.00764721
 1   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2     0.32496773     0.32496773    0.00747401          0.33249853    0.00764721       0.33249853    0.00764721
 2   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3     0.32496773     0.32496773    0.00747401          0.33249853    0.00764721       0.33249853    0.00764721

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         al_TOT_VC

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.007647213715
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         al0_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.004054627463
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         al1_NV_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.003419383536
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         al1_VC_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.003592586252
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  
SMA from inv. cond. (with VC)                    [%]:     0.000000
    
Resistivity (no Streda)
---------------------------------
                         without Vertex                                           with Vertex
                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.15421257   133.79696659    3.00753209        130.76658208    3.00753209     130.76658208
 1   2     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 1   3     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 2   1     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 2   2     0.15421257   133.79696659    3.00753209        130.76658208    3.00753209     130.76658208
 2   3     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   1     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   2     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   3     0.15421257   133.79696661    3.00753210        130.76658210    3.00753210     130.76658210
SMA from resistivity (with VC)                    [%]:     0.000000

a.u. (Rydberg):  [(hbar*a_0)*2/(e**2)]

SI units      :  [muOhm*cm]

Results without Vertex-corrections:
===================================

Conductivity in a.u.:                     0.32497
Conductivity in [1/(Ohm*m)]          747401.09991
Inverse Conductivity [muOhm.cm]         133.79697
Resistivity in [muOhm.cm]               133.79697 (no VC)  

Results including Vertex-corrections:
=====================================

Conductivity in a.u.:                     0.33250
Conductivity in [1/(Ohm*m)]          764721.37150
Inverse Conductivity [muOhm.cm]         130.76658
Resistivity in [muOhm.cm]               130.76658 (with VC)
Inclusion of vertex-correction increases conductivity by   2.3174%

     ****************************************
     ****************************************
        polarization Bargmann-Wigner x
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   3    -0.21847427    -0.21847427   -0.00502474         -0.21835279   -0.00502195      -0.21835279   -0.00502195
 3   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   2     0.21847427     0.21847427    0.00502474          0.21835279    0.00502195       0.21835279    0.00502195
 3   3     0.00000000     0.00000000    0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.005021948432
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.005135632030
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000110889707
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000113683598
  
     ****************************************
     ****************************************
        polarization Bargmann-Wigner y
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.00000000     0.00000000    0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   3     0.21847427     0.21847427    0.00502474          0.21835279    0.00502195       0.21835279    0.00502195
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2     0.00000000     0.00000000    0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   1    -0.21847427    -0.21847427   -0.00502474         -0.21835279   -0.00502195      -0.21835279   -0.00502195
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.005021948432
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.005135632030
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.000110889707
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.000113683598
  
     ****************************************
     ****************************************
        polarization Bargmann-Wigner z
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2    -0.21847427    -0.21847427   -0.00502474         -0.21835279   -0.00502195      -0.21835279   -0.00502195
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1     0.21847427     0.21847427    0.00502474          0.21835279    0.00502195       0.21835279    0.00502195
 2   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.005021948436
        the matrix is  DEGENERATE  (within TOL)
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.005135632032
        the matrix is  DEGENERATE  (within TOL)
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000110889706
        the matrix is  DEGENERATE  (within TOL)
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000113683597
        the matrix is  DEGENERATE  (within TOL)
  
     ****************************************
     ****************************************
        polarization Bargmann-Wigner x,  nabla
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   3    -0.10317490    -0.10317490   -0.00237294         -0.10305342   -0.00237015      -0.10305342   -0.00237015
 3   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   2     0.10317490     0.10317490    0.00237294          0.10305342    0.00237015       0.10305342    0.00237015
 3   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.002370150422
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.002483834954
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000110890621
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|     A|
          3|  -A  |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000113684532
  
     ****************************************
     ****************************************
        polarization Bargmann-Wigner y,  nabla
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   3     0.10317490     0.10317490    0.00237294          0.10305342    0.00237015       0.10305342    0.00237015
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2     0.00000000     0.00000000    0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   1    -0.10317490    -0.10317490   -0.00237294         -0.10305342   -0.00237015      -0.10305342   -0.00237015
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.002370150422
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.002483834954
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.000110890621
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|     A|
          2|      |
          3|-A    |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.000113684532
  
     ****************************************
     ****************************************
        polarization Bargmann-Wigner z,  nabla
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   2    -0.10317490    -0.10317490   -0.00237294         -0.10305342   -0.00237015      -0.10305342   -0.00237015
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1     0.10317490     0.10317490    0.00237294          0.10305342    0.00237015       0.10305342    0.00237015
 2   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         po_TOT_VC

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.002370150425
        the matrix is  DEGENERATE  (within TOL)
  

         po0_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A       -0.002483834956
        the matrix is  DEGENERATE  (within TOL)
  

         po1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000110890619
        the matrix is  DEGENERATE  (within TOL)
  

         po1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|   A  |
          2|-A    |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.000113684531
        the matrix is  DEGENERATE  (within TOL)
  
     ****************************************
     ****************************************
        SOT spin-orbit torque
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [e*a_0]

SI units      :  [10**-30 C*m]


In tensor form ( SI units )

         SO_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         SO0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         SO1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         SO1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  
     ****************************************
     ****************************************
        nabla     nabla   (electrical conductivity)
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.32496814     0.32496814    0.00747402          0.33249895    0.00764722       0.33249895    0.00764722
 1   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   2     0.32496814     0.32496814    0.00747402          0.33249895    0.00764722       0.33249895    0.00764722
 2   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   3     0.32496813     0.32496813    0.00747402          0.33249895    0.00764722       0.33249895    0.00764722

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         na_TOT_VC

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.007647223406
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         na0_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.004054632866
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         na1_NV_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.003419387486
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  

         na1_VC_FSURF

           | 1 2 3|    
         --+------+
          1| A    |
          2|   A  |
          3|     A|
         --+------+

        Elements larger TOL=  0.1E-07
          1   A        0.003592590540
        the matrix is  DIAGONAL    (within TOL)
        the matrix is  DEGENERATE  (within TOL)
  
SMA from inv. cond. (with VC)                    [%]:     0.000000
    
Resistivity (no Streda)
---------------------------------
                         without Vertex                                           with Vertex
                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1     0.15421257   133.79679917    3.00752828        130.76641637    3.00752828     130.76641637
 1   2     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 1   3     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 2   1     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 2   2     0.15421257   133.79679917    3.00752828        130.76641637    3.00752828     130.76641637
 2   3     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   1     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   2     0.15421257     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000
 3   3     0.15421257   133.79679919    3.00752828        130.76641639    3.00752828     130.76641639
SMA from resistivity (with VC)                    [%]:     0.000000

a.u. (Rydberg):  [(hbar*a_0)*2/(e**2)]

SI units      :  [muOhm*cm]

Results without Vertex-corrections:
===================================

Conductivity in a.u.:                     0.32497
Conductivity in [1/(Ohm*m)]          747402.03516
Inverse Conductivity [muOhm.cm]         133.79680
Resistivity in [muOhm.cm]               133.79680 (no VC)  

Results including Vertex-corrections:
=====================================

Conductivity in a.u.:                     0.33250
Conductivity in [1/(Ohm*m)]          764722.34057
Inverse Conductivity [muOhm.cm]         130.76642
Resistivity in [muOhm.cm]               130.76642 (with VC)
Inclusion of vertex-correction increases conductivity by   2.3174%

     ****************************************
     ****************************************
        sigma     alpha   (spin Edelstein effect)
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000

a.u. (Rydberg):  [a_0**2/e]

SI units      :  [m/V]


In tensor form ( SI units )

         si_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         si0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         si1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         si1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  
     ****************************************
     ****************************************
        orbital   alpha   (orbital Edelstein effect)
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     
 1   1    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 1   2    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 1   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   1     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 2   2     0.00000000     0.00000000    0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 2   3    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   1    -0.00000000    -0.00000000   -0.00000000         -0.00000000   -0.00000000      -0.00000000   -0.00000000
 3   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000000    0.00000000
 3   3    -0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000       0.00000000    0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         or_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         or0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         or1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         or1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  
     ****************************************
     ****************************************
        hyperfine alpha   (hyperfine Edelstein effect)
     ****************************************
     ****************************************

                         without Vertex                                           with Vertex
MUE NUE        EF                  Complete                              EF                        Complete
              a.u.           a.u.          SI                  a.u.          SI               a.u.          SI     

site IQ:    1

 1   1     0.00000000    -0.00000000   -0.00000000          0.00000000    0.00000000      -0.00000001   -0.00000000
 1   2     0.00000000     0.00000003    0.00000000          0.00000000    0.00000000       0.00000001    0.00000000
 1   3     0.00000000    -0.00000003   -0.00000000          0.00000000    0.00000000      -0.00000002   -0.00000000
 2   1     0.00000000    -0.00000003   -0.00000000          0.00000000    0.00000000      -0.00000001   -0.00000000
 2   2     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000       0.00000001    0.00000000
 2   3     0.00000000     0.00000003    0.00000000          0.00000000    0.00000000       0.00000002    0.00000000
 3   1     0.00000000     0.00000003    0.00000000          0.00000000    0.00000000      -0.00000003   -0.00000000
 3   2     0.00000000    -0.00000003   -0.00000000          0.00000000    0.00000000       0.00000003    0.00000000
 3   3     0.00000000     0.00000000    0.00000000          0.00000000    0.00000000      -0.00000000   -0.00000000

a.u. (Rydberg):  [(e**2)/(2*hbar*a_0)]

SI units      :  [1/(muOhm*cm)]


In tensor form ( SI units )

         hy_TOT_VC

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         hy0_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         hy1_NV_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

         hy1_VC_FSURF

           | 1 2 3|    
         --+------+
          1|      |
          2|      |
          3|      |
         --+------+

        Elements larger TOL=  0.1E-07

        the matrix is  0-matrix    (within TOL =   0.1E-07 )
  

     execution time for <SIG>:       412.519 secs


 *******************************************************************************
 *******************************************************************************

          MPI process number  0  out of  72 processes
          calculation for task = SIGMA     
          finished in subroutine <SIG>
          run time info  CPU        413.056 sec
                         WALL       413.345 sec

 *******************************************************************************
 *******************************************************************************

          program stopped regularly via STOP_REGULAR

