BSE_SPECTRUM
Parameters influencing the output of the optical absorption spectrum, i.e. the dynamical dipole polarizability tensor \(\alpha_{\mu,\mu'}(\omega)\) (\(\mu,\mu'\in\{x,y,z\}\)), obtained from a BSE calculation, which is defined as \( \alpha_{\mu,\mu'}(\omega) = \sum_n \frac{2 E^{(n)} d^{(n)}_{\mu} d^{(n)}_{\mu'}} {(\omega+i\eta)^2-\left(\Omega^{(n)}\right)^2} \). The printed file will contain the specified frequency range \(\omega\) and the corresponding imaginary part of the average \(\bar{\alpha}(\omega)=\frac{1}{3}\mathrm{Tr} \left[ \alpha_{\mu,\mu'}(\omega)\right]\) as well as of the elements of \(\alpha_{\mu,\mu'}(\omega)\). [Edit on GitHub]
Keywords
Keyword descriptions
- SECTION_PARAMETERS
Type: logical
Default: F
Lone keyword: T
Usage: &BSE .TRUE.Description: Activates printing of optical absorption spectrum from the BSE calculation.
- ETA_LIST
Type: real[ ]
Default: 1.00000000E-002 [eV]
Usage: ETA_LIST 0.01 …Description: List of broadening of the peaks in the optical absorption spectrum.
Mentions: ⭐GW + Bethe-Salpeter equation
- FREQUENCY_END_POINT
Type: real
Default: 1.00000000E+002 [eV]
Usage: FREQUENCY_END_POINT 0Description: Last frequency to print in the optical absorption spectrum.
- FREQUENCY_STARTING_POINT
Type: real
Default: 0.00000000E+000 [eV]
Usage: FREQUENCY_STARTING_POINT 0Description: First frequency to print in the optical absorption spectrum.
- FREQUENCY_STEP_SIZE
Type: real
Default: 1.00000000E-001 [eV]
Usage: FREQUENCY_STEP_SIZE 0.1Description: Step size of frequencies for the optical absorption spectrum.