Hi all,
I am trying to simulate bilayer graphene for which I have to use airebo potential.
But I get this error ERROR: Incorrect args for pair coefficients (…/pair_airebo.cpp:174) whenever I try to run it.
I have attached the input and data files.
Could you please suggest something ?
Thanks.
Amruth
data.txt (40.9 KB)
input.txt (591 Bytes)
Hi all,
I am trying to simulate bilayer graphene for which I have to use airebo
potential.
But I get this error ERROR: Incorrect args for pair coefficients
(../pair_airebo.cpp:174) whenever I try to run it.
I have attached the input and data files.Could you please suggest something ?
this error message means, that your syntax for the pair_coeff command is
not correct or not consistent with your data file.
axel.
I have changed the potential to LJ and tried. Even then, there are many atoms which are lost.
Is there something that I can do to make this bilayer graphene have airebo potential between C-C bonds in a layer and VanderWaals attraction between the layers?
Thanks.
Amruth
I have changed the potential to LJ and tried. Even then, there are many
atoms which are lost.
you are not making sense here. all you have to do is correct a syntax error
and instead you change the potential. particularly, to one, that cannot
work without defining explicit bonds. why?
Is there something that I can do to make this bilayer graphene have airebo
potential between C-C bonds in a layer and VanderWaals attraction between
the layers?
what has that to do with writing a correct input?
I am very much new to LAMMPS. What exactly am I supposed to do the syntax of pair_coeff?
I use asterisk because I have only 1 type of atom. I call the potential file and use C and NULL because I have only C atoms in graphene.
I am not able to understand what’s wrong with this?
How many atom types have you defined in your data file
or create_box command?
That is a different Q than how many atomic species you have.
Steve