Can any LAMMPS user help me to find out What is the correct kspace_style for pair_style buck/coul/long 11.0 11.0. Now I am using the below mention kspace_style. Is this the correct format or I have to add "kspace_modify gewald 0.2428".
units real
atom_style full
read_data inp_nve.xyz
kspace_style ewald 0.00001
pair_style buck/coul/long 11.0 11.0
Hi Omkar
See restriction section in: http://lammps.sandia.gov/doc/pair_buck.html....
you will see that need Kspace because of the charge potential in the pair_style
Sir,
I am using Buckingham potential as short range potential and I am using the pair style
pair_style buck/coul/long 11.0
I just want to know which kspace_style will compatible with the above pair_style to perform ewald summation correctly.
Ok....
I am using em these cases the kspace_style kspace_style ewald/disp 1.0e-10
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