BSEFATBAND: Difference between revisions
No edit summary |
|||
| Line 1: | Line 1: | ||
The {{FILE|BSEFATBAND}} file contains the {{TAG|NBSEEIG}} number of eigenvectors of the BSE | The {{FILE|BSEFATBAND}} file contains the {{TAG|NBSEEIG}} number of eigenvectors of the BSE Hamiltonian. | ||
The file has the following structure: | The file has the following structure: | ||
Revision as of 15:28, 20 July 2022
The BSEFATBAND file contains the NBSEEIG number of eigenvectors of the BSE Hamiltonian.
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.