In my work I use the Elk code to calculate the magnetic response function (tasks 330).
How time-dependent susceptibility calculated in the ELK?
1) First calculated Khon-Sham susceptibility in real space and Matsubara time. Next, Khon-Sham susceptibilitywas transformed to the reciprocal space and Matsubara frequency. And real frequency axis obtained using analitycal continuation.
or
2)Susceptibility considered directly in real time and space, and translated into real frequency axis and the reciprocal space by Fourier transform?
Regards,
Viktor
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Dear Elk developers,
In my work I use the Elk code to calculate the magnetic response function (tasks 330).
How time-dependent susceptibility calculated in the ELK?
1) First calculated Khon-Sham susceptibility in real space and Matsubara time. Next, Khon-Sham susceptibilitywas transformed to the reciprocal space and Matsubara frequency. And real frequency axis obtained using analitycal continuation.
or
2)Susceptibility considered directly in real time and space, and translated into real frequency axis and the reciprocal space by Fourier transform?
Regards,
Viktor
The formulae are analytically derived in the reciprocal space and implemented. The susceptibility is never calculated in real-space.
The calculations are perofomed on a set of complex frequencies.
Is it possible to do calculations in the code non-collinear magnetic susceptibility? Where can I see the formula as it is done in the code?
Regards,
Viktor