[Wannier] wannier to nanotcad
giovanni.pizzi at epfl.ch
Sun Dec 16 19:09:41 CET 2018
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Regarding your question: matrix elements decay with distance, but typically do not go exactly to zero.
When using the matrix elements in other codes, these often can be required to have non-zero elements only up to a given distance. The flag you mention will set to zero any matrix element where the distance is larger that the value “dist_cutoff” when performing the Wannier interpolation (so you can check the convergence of the computed quantities as a function of this distance, for instance).
Theory and Simulation of Materials and MARVEL, EPFL
On 16 Dec 2018, at 09:38, xiaoqiqu97 <xiaoqiqu97 at gmail.com<mailto:xiaoqiqu97 at gmail.com>> wrote:
Recently, I learn about tutorial 14.
I am a beginer about wannier and nanotcad.
I can not understand about this:
the cutoff diatance:the largest distance between two WFs for which the Hamiltionian matrix element is retained and used. Units are Angstrom.
Could you explain it in detail?
Thank for your help!
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