[Wannier] The format of the seedname_tb.dat

Tiangang Zhou tgzhou98 at gmail.com
Tue Mar 26 09:35:47 CET 2019


Dear all,

I find that even the latest user_guide 3.0.0 doesn’t have a description about the format of seedname_tb.dat. The format of seedname_tb.dat is similar to the seedname_hr.dat but I found that several lines of  hamiltonian matrix element have different format. For example,

normal format:

band_n band_m Re(H_{nm}) Im(H_{nm})
```
    3   -1   -1
    1    1    0.55453525E-02  0.60100559E-08
    2    1   -0.14797084E-02 -0.62324326E-08
    3    1   -0.14797098E-02  0.11979592E-07
    4    1   -0.14797014E-02  0.15786959E-09
    1    2   -0.14797035E-02  0.81813838E-08
    2    2    0.55453634E-02  0.10084269E-08
    3    2   -0.14797077E-02  0.15822787E-08
    4    2   -0.14797090E-02 -0.27138697E-08
    1    3   -0.14797038E-02 -0.46263648E-08
    2    3   -0.14797080E-02 -0.27972434E-08
    3    3    0.55453603E-02  0.36777920E-08
    4    3   -0.14797108E-02 -0.10471928E-07
    1    4   -0.14797030E-02 -0.30037295E-08
    2    4   -0.14797164E-02  0.28062401E-08
    3    4   -0.14797055E-02  0.77148869E-08
    4    4    0.55453556E-02 -0.10696275E-07
```

special format:
```
   -3    1    1
    1    1   -0.21322014E-08 -0.17232687E-08  0.12450708E-09 -0.60932029E-09  0.30412748E-08  0.16759934E-08
    2    1   -0.10583936E-02 -0.17119083E-08 -0.22552270E-03 -0.89021188E-09  0.22552259E-03  0.55343185E-10
    3    1   -0.22551978E-03  0.18516490E-08 -0.10583930E-02  0.83160625E-09  0.22551956E-03 -0.35236595E-09
    4    1   -0.22552195E-03  0.79800155E-09 -0.22552330E-03 -0.69413251E-09  0.10583932E-02  0.41487005E-09
    1    2   -0.10583919E-02  0.59024949E-09  0.22552269E-03  0.36816451E-09 -0.22552171E-03  0.52186617E-09
    2    2   -0.86543954E-09  0.18185202E-08  0.26202936E-09 -0.16009403E-08 -0.90948482E-10  0.17350770E-08
    3    2   -0.22552159E-03 -0.10748526E-08  0.22552070E-03  0.57380006E-10 -0.10583924E-02  0.50612635E-09
    4    2   -0.22552391E-03 -0.11366550E-08  0.10583934E-02  0.81464333E-09 -0.22552424E-03 -0.94949979E-09
    1    3    0.22552475E-03 -0.45234339E-10 -0.10583926E-02 -0.31023823E-09 -0.22552477E-03 -0.10545867E-08
    2    3    0.22552320E-03  0.68278448E-10 -0.22552269E-03  0.22918708E-08 -0.10583925E-02  0.39874764E-09
    3    3   -0.22062330E-08 -0.97907670E-09 -0.19921182E-09 -0.12130121E-08  0.42842064E-10  0.27497128E-09
    4    3    0.10583933E-02  0.51045493E-09 -0.22552186E-03 -0.15046905E-09 -0.22552112E-03  0.10702602E-08
    1    4    0.22552137E-03 -0.14823492E-09  0.22552255E-03  0.12057989E-08  0.10583933E-02  0.26852124E-09
    2    4    0.22552259E-03  0.45039940E-09  0.10583931E-02  0.29849414E-09  0.22552278E-03 -0.23564655E-08
    3    4    0.10583919E-02 -0.14091205E-08  0.22552263E-03 -0.21785294E-09  0.22552372E-03  0.14719889E-08
    4    4    0.20835470E-08  0.90447694E-09 -0.24603925E-10 -0.70173276E-09 -0.20308501E-09 -0.17322640E-09
```

So what’s the meaning of the special format?

Best,
Tiangang

School of Physics
Peking University
Beijing, China

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