[Wien] momentum matrix format

[tahani alrebdi]

Dear Wien2k users:

 

I would like to extract the momentum
matrix elements of Si from wien2k 

 

 

 

I have got the Complex
momentum matrix elements: 

(Re_x,Im_x),(Re_y,Im_y),(Re_z,Im_z)

 

 KP:     1 NEMIN NEMAX :     1   28 dE:-5.00 2.00 K:         1   2p      1 0.121058E+00-0.202606E-02 0.325240E-01-0.116625E+00 0.194919E-01-0.150586E-01
   2p      1 0.199476E-01 0.256011E-02 0.199477E-01 0.255901E-02 0.137226E+00 0.176080E-01
   2p      1-0.673332E-01-0.187780E-01-0.117002E-02-0.698928E-01-0.869386E-02-0.112534E-01
   2p      1 0.190768E-06 0.347725E-06-0.271777E-06 0.288878E-06 0.818299E-07-0.637064E-06
   2p      2 0.254198E-06 0.304446E-06 0.368099E-06-0.147700E-06-0.623024E-06-0.156150E-06
   2p      2-0.707264E-02 0.695439E-01 0.646519E-01 0.265801E-01 0.730745E-02 0.121992E-01
   2p      2-0.489131E-02 0.195072E-01-0.489239E-02 0.195069E-01-0.336527E-01 0.134196E+00
   2p      2 0.460376E-01-0.111981E+00 0.120453E+00 0.122506E-01 0.211302E-01-0.126572E-01....   2p     28-0.871010E-01-0.528130E-01 0.871010E-01-0.528130E-01-0.203054E-07 0.221985E-01
   2p     28 0.401466E-01 0.190957E-01-0.190957E-01-0.401467E-01 0.507160E-01-0.507158E-01
   2p     28 0.498834E-01 0.103614E-01 0.498833E-01-0.103614E-01-0.989596E-01 0.426177E-07
   2p     28-0.346692E-01 0.108762E-01 0.108762E-01-0.346694E-01-0.170831E-01-0.170830E-01  KP:     1 NEMIN NEMAX :     1   28 dE:-5.00 2.00 K:         1   2ps     1 0.140204E-01 0.179901E-02 0.140204E-01 0.179901E-02 0.966705E-01 0.124042E-01
   2ps     1-0.948715E-01-0.264245E-01-0.161622E-02-0.984695E-01-0.122214E-01-0.158194E-01
   2ps     2 0.999634E-02-0.979741E-01-0.910975E-01-0.374178E-01-0.102724E-01-0.171490E-01
   2ps     2 0.343828E-02-0.137107E-01 0.343828E-02-0.137107E-01 0.237071E-01-0.945358E-01
   2ps     3 0.292253E-17 0.980192E-16 0.270859E-17 0.584178E-17-0.353830E-16-0.150070E-16
   2ps     3 0.363272E-16 0.812302E-16-0.410985E-15 0.853772E-16-0.894793E-18-0.445393E-16
....   2ps    28-0.139977E-01 0.181080E-03-0.181069E-03 0.139978E-01 0.148591E-01-0.148591E-01
   2ps    28 0.285428E-01 0.145747E-01 0.285428E-01-0.145747E-01 0.271219E-01-0.117763E-07

  also i have got the
Si.mat_diag :

  2  Re <x><x>    Re <z><z>          ALL   KP:     1 NEMIN NEMAX :     1   28 dE: -5.0  3.0 K:         1      1   1 0.144645E-22 0.144645E-22
      2   2 0.144646E-22 0.144646E-22
      3   3 0.149619E-23 0.149619E-23
      4   4 0.149624E-23 0.149624E-23
      5   5 0.737577E-23 0.737577E-23
      6   6 0.688597E-23 0.688597E-23
      7   7 0.686877E-23 0.686877E-23
      8   8 0.737346E-23 0.737346E-23
      9   9 0.257356E-23 0.257356E-23
     10  10 0.257317E-23 0.257317E-23
     11  11 0.158055E-21 0.158055E-21
     12  12 0.157686E-21 0.157686E-21
     13  13 0.219276E-21 0.219276E-21
     14  14 0.152771E-21 0.152771E-21
     15  15 0.153031E-21 0.153031E-21
     16  16 0.219283E-21 0.219283E-21
     17  17 0.489698E-22 0.489698E-22
     18  18 0.489698E-22 0.489698E-22
     19  19 0.571929E-22 0.571929E-22
     20  20 0.572085E-22 0.572085E-22
     21  21 0.570950E-22 0.570950E-22
     22  22 0.572168E-22 0.572168E-22
     23  23 0.238133E-21 0.238133E-21
     24  24 0.693514E-22 0.693514E-22
     25  25 0.708137E-22 0.708137E-22
     26  26 0.238146E-21 0.238146E-21
     27  27 0.123231E-21 0.123231E-21
     28  28 0.127796E-21 0.127796E-21
~


 

   

but

 1) i don't know what is the
format of the momentum matrix file 2)why the KP divided into 28
points even though I have used only 1 KP as a test  

  3) 2p and 2ps refer to what ? Thank you very much for your help.

Best regards,
Tahani


  		 	   		  
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