BSEFATBAND: Difference between revisions
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This file contains the first {{TAG|NBSEEIG}} eigenvectors of the BSE matrix. | This file contains the first {{TAG|NBSEEIG}} eigenvectors of the BSE matrix. | ||
The structure of the BSEFATBAND file has a line and collumn structure: | 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 {{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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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:Files]] | [[Category:Files]][[Category:Output Files]] | ||
Revision as of 13:21, 27 February 2019
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.