[Pw_forum] response function

Iurii Timrov itimrov at sissa.it
Mon Jan 25 10:39:12 CET 2016


Dear Eliya Asmani,

First of all, please sign your posts with your name and affiliation!

The turboEELS code of TDDFPT may probably be of interest for you. It 
allows one to calculate the susceptibility as a function of frequency 
and transferred momentum for periodic systems. More details can be found 
in these publications:

I. Timrov, N. Vast, R. Gebauer, and S. Baroni, "Electron energy loss and 
inelastic x-ray scattering cross sections from time-dependent 
density-functional perturbation theory", Phys. Rev. B 88, 064301 (2013); 
ibid. 91, 139901 (2015).

and

I. Timrov, N. Vast, R. Gebauer, and S. Baroni, "turboEELS - A code for 
the simulation of the electron energy loss and inelastic X-ray 
scattering spectra using the Liouville-Lanczos approach to 
time-dependent density-functional perturbation theory", Comp. Phys. 
Commun. 196, 460 (2015).

HTH

Best regards,
Iurii


Dr. Iurii TIMROV
Postdoctoral Researcher
SISSA - International School for Advanced Studies
Condensed Matter Sector
Via Bonomea n. 265,
Trieste 34151, Italy


On 2016-01-23 23:30, Eliya Asmani wrote:
> Dear all,
> 
> I want to know charge-charge response function (χ0 (q, w))
>  is calculated during TDDFT claculations (turbo_spectrum.x)?
> 
> Best,
> 
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