Ewald

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1

Hi all,
      I am new to LAMMPS. I installed the recent version on my PC.
I am trying to perform some basic simulations.
Right now i am trying to minimize water molecules.
I used pair_style lj/cut/Coul/long. Hence i used Ewald for Coulomb in k_space style.
I would like to know what is meant by precision accuracy.
Since a slight change in the value has high impact on the total energy.
Is there an optimimum range of value for the precision accuracy.

Kindly help me in this regard

Thanks,
Naresh

2

The precision is used to determine the number of Ewald kspace vectors. Smaller precision means more kspace vectors and a more accurate simulation answer. You can try several values and see how it affects speed and if the energy converges.

Paul