I need to simulate a SiO2 system using MEAM. Based on the parameters published on the paper ( Modelling Simul. Mater. Sci. Eng, vol12(p1309-1329), 2005 ), I firstly change some parameters of Si in library.meam file and add O’s parameters into it. Then i write a sio2.meam file to specify other parameters, following the example in lammps.
However, when I relaxed the whole system in NPT, the system volume shrinks and I got wrong bond-length of Si-O bond.
I have been trying to solve this for a long time, any suggestion is highly appreciated!
Following the input file I use and attached is the meam parameter file i used
sio2.meam (306 Bytes)
library-tenary.meam (597 Bytes)