Inquiry on Implementation of Liechtenstein Formula

mstsuite / MuST

Multiple Scattering Theory code for first principles calculations

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Inquiry on Implementation of Liechtenstein Formula #64

Open KylinGuo opened 4 months ago

KylinGuo commented 4 months ago

Dear Developers,

Will the Liechtenstein formula be implemented? This formula is widely used for calculating exchange coupling parameters. Here is the reference:

A.I. Liechtenstein, M.I. Katsnelson, V.A. Gubanov, "Exchange interactions and spin-wave stiffness in ferromagnetic metals," J. Phys. F: Met. Phys., vol. 14, no. 7, 1984, pp. L125, http://dx.doi.org/10.1088/0305-4608/14/7/007.

Best regards, Qilin

wangy2014 commented 4 months ago

Hi Qilin, Thank you for your interest in using MuST. The calculation of the exchange coupling parameters is indeed implemented in MuST. They need to be printed out in an appropriate way so that users can extract them from the output file. We will be working on this and make the parameters available to read. Best, Yang