Open vshah3011 opened 2 years ago
very sorry for this late response!
Dear,
Thank you for the response and help. I will check the distance based issue and get back to you if there is an error.
Kind regards, Varun
On Wed, Oct 12, 2022 at 9:42 AM mengfsou @.***> wrote:
very sorry for this late response!
- it is no problem of the WARNING: Structure 0 Atom 6288 : 0 neighbours. you can turn it off when you compile the n2p2 package.
- lost atoms! Please check the distance between Fe and H atoms? or please sent me the input file of lammps.
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Dear,
I am trying to use the Fe-H potential to study the diffusion behaviour of H in alpha iron. I am using the example script as a reference. However, I end up getting the following warning
WARNING: Structure 0 Atom 6288 : 0 neighbours.
and following the warning the cg minimisation throws a lost atom error. Can someone help in troubleshooting the problem?
Many thanks!
Kind regards, Varun