BSEFATBAND: Difference between revisions

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== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|NBSEEIG}}
{{TAG|NBSEEIG}}
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[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]
[[Category:Files]][[Category:Output files]][[Category:Bethe-Salpeter equations]]

Revision as of 15:55, 19 July 2022

The BSEFATBAND file contains the NBSEEIG number of eigenvectors of the BSE matrix.

The file has the following structure:

  rank of the BSE matrix                NBSEEIG
  1BSE eigenvalue    E_BSE      IP-eigenvalue:    E_IP
Kx Ky Kz E_h E_e Abs(X_BSE)/W_k NB_h NB_h Re(X_BSE)+ i*Im(X_BSE)   
...
  2BSE eigenvalue    E_BSE      IP-eigenvalue:    E_IP
Kx Ky Kz E_h E_e Abs(X_BSE)/W_k NB_h NB_h Re(X_BSE)+ i*Im(X_BSE)
...
   NBSEEIGBSE eigenvalue    E_BSE      IP-eigenvalue:    E_IP
Kx Ky Kz E_h E_e Abs(X_BSE)/W_k NB_h NB_h Re(X_BSE)+ i*Im(X_BSE)   

where E_BSE and E_IP are the BSE and IP transition energies, KX KY KZ the k-point coordinates, E_h and E_e the hole and electron eigenvalues, X_BSE the component of the eigenvector, W_k the weight of the k-point, and NB_h NB_e the hole and electron orbital numbers.


Related Tags and Sections

NBSEEIG