Dear LAMMPS users;

I have question about Ewald sum/PPPM long range solver for LAMMPS. Accuracy of Ewald sum depends on \alpha: rate of convergence parameter, r_cut: real space force cut off distance, and m_max: number of k_spaces. If this is correct how ewald_value/pppm_value connects to these parameters?

Many thanks,

Sahand

Dear LAMMPS users;

I have question about Ewald sum/PPPM long range solver for LAMMPS.

Accuracy of Ewald sum depends on \alpha: rate of convergence parameter,

r_cut: real space force cut off distance, and m_max: number of k_spaces. If

this is correct how ewald_value/pppm_value connects to these parameters?

please have a closer look at the documentation for the kspace_style

command. it references several papers and expressions that are used in

LAMMPS to estimate errors and accuracy. i would suggest to get hold of a

copy of those papers, study them, and if you still have doubts, consult the

relevant source code in kspace.cpp

axel.