[Wannier] number of bands for a special atom and special kpoint

[fatemeh.mirjani]

Dear users;

For exporting the required data from Wien2k to Wannier90 I have a problem.

For example for GaAs:
I can calculate the Mmn matrix for Ga and As separately not for GaAs!
The number of bands for Ga is different from the number of bands for As.
for each atom and each kpoint I have a number of bands.

 
Totally, In a sample the number of occupied bands in Wien2k for each atom is different from another atoms. When I want to import the Mmn matrix that I have calculated in Wien2k, I don't know what should I do? Because in seedname.mmn Wannier90 code writes the Mmn matrix with a special number of bands for the total atoms of sample not for a special atom.


Your help is greatly appreciated like your previous favor.

-- 
Best Regards
Fatemeh Mirjani                                         |    Email: f_mirjani at ph.iut.ac.ir  
Computational Condensed Matter Research Lab.            |    Tel/Fax Office: +98311-391374
ICTP Affiliated Center in Isfahan,                      |    Tel Lab.: +98311-3913731
----------Physics Department, Isfahan University of Technology, Iran----------------------