Author Topic: RMTK  (Read 1789 times)

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Offline manishk19

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RMTK
« on: February 4, 2018, 17:41 »
Please tell me how to set convergence parameter RMTKmax (the product of the smallest atomic sphere radii RMT and the plane wave cut off parameter, Kmax). The maximum l quantum number for the wave function expansion and the Gmax parameter (magnitude of largest vector in charge density Fourier expansion or the plane wave cutoff) in VNL ATK.

Offline Petr Khomyakov

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Re: RMTK
« Reply #1 on: February 5, 2018, 13:47 »
It seems that you are trying to set a parameter of the WIEN-2k code that does not exist in QuantumATK.