Dear Lammps users,
I have a question with respect to Ewald sum out put. From Petersen paper (J. Chem. Phys. 103 (9) 1995) and an older discussion about Ewald parameters (There are actually 2 settings in LAMMPS that effect the Ewald (or PPPM) discretization: the precision and the cutoff. Internally the code uses both of those to set Gewald and the Kspace resolution (# of vectors, grid spacing)).
Is the following statement correct from the following output? The alpha value is 0.303898 and the value of kmax is 11.
Ewald initialization …
G vector (1/distance) = 0.303898
estimated absolute RMS force accuracy = 0.000397421
estimated relative force accuracy = 1.19682e-06
KSpace vectors: actual max1d max3d = 2717 11 6083
Thank you for your time,