QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: manishk19 on February 4, 2018, 17:41

Title: RMTK
Post by: manishk19 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.

Title: Re: RMTK
Post by: Petr Khomyakov 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.