Hi all
I am studying the interaction of water and Sio2 solid.
I have been trying to run the small test case before running main simulation.
And I want to use COMB potential for SiO2 crystalline and other potential for interface interaction.
But it showed error messages and I cant find which part is wrong.
(I used ffield.comb file in lammps package.)
I attach my input file and log file below. Please help me.
-----------------ERROR MESSAGE 1----------------------------------
#################pair potential################################
pair_style hybrid comb coul/long 10.0
pair_coeff 1 1 coul/long
pair_coeff 1 2 coul/long
pair_coeff 1 3 coul/long
pair_coeff 1 4 coul/long
pair_coeff 2 2 comb ffield.comb O O
ERROR: Incorrect args for pair coefficients
-----------------ERROR MESSAGE 2----------------------------------
#pair_style hybrid comb coul/long 10.0
#pair_coeff 1 1 coul/long
#pair_coeff 1 2 coul/long
#pair_coeff 1 3 coul/long
#pair_coeff 1 4 coul/long
#pair_coeff 2 2 comb ffield.comb O O
#pair_coeff 2 3 coul/long
#pair_coeff 2 4 comb ffield.comb O Si
#pair_coeff 3 3 coul/long
#pair_coeff 3 4 coul/long
#pair_coeff 4 4 comb ffield.comb Si Si
pair_style hybrid/overlay comb coul/long 10.0
pair_coeff * * comb ffield.comb Null O Null Si
ERROR: Potential file is missing an entry
The 1st error is b/c your pair coeff command does
not list an entry for all 4 (or more) atom types.
The 2nd error is b/c you are using Null instead
of NULL, and it is looking for element Null in
the potential file.
I suggest you read the comb doc page carefully.
Steve