BSEFATBAND: Difference between revisions
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#st line: Number of e-h pairs in the BSE basis and value for {{TAG|NBSEEIG}}. | #st line: Number of e-h pairs in the BSE basis and value for {{TAG|NBSEEIG}}. | ||
#nd line: the BSE eigenvalue | #nd line: the BSE eigenvalue | ||
#Following lines: BSE eigenvector, columns 1-3 k-point coordinates, column 4 hole eigenvalue, column 5 electron eigenvalue, column 6 absolute value of coupling coefficient | #Following lines: BSE eigenvector, columns 1-3: k-point coordinates, column 4: hole eigenvalue, column 5: electron eigenvalue, column 6: absolute value of coupling coefficient, column 7: hole orbitalnumber, column 8: electron orbitalnumber, column 9: real part of coupling coefficient, column 10: imaginary part of coupling coefficient. | ||
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Revision as of 16:35, 15 December 2017
This file contains the first NBSEEIG eigenvectors of the BSE matrix.
The structure of the BSEFATBAND file has a line and collumn structure:
- st line: Number of e-h pairs in the BSE basis and value for NBSEEIG.
- nd line: the BSE eigenvalue
- Following lines: BSE eigenvector, columns 1-3: k-point coordinates, column 4: hole eigenvalue, column 5: electron eigenvalue, column 6: absolute value of coupling coefficient, column 7: hole orbitalnumber, column 8: electron orbitalnumber, column 9: real part of coupling coefficient, column 10: imaginary part of coupling coefficient.