Hi all,
During equilibration of atoms, temperature of the atoms should be constant or fluctuate through a small value about the given temperature. However, in my case, it is drastically coming down for initial 100 timesteps and then slowly coming to a constant value after few thousands of steps. What could be the reason?
##Equilibration of cu
#material: Cu
#Pot.: EAM
velocity all create 300 58142275 temp new
fix 1 all npt temp 300 300 0.1 iso 0.0 0.0 1
#output
0 300
20 286
40 209
…
100 80
…
300 203
…
1000 230
…
1500 270
…
2000 302
then fluctuating about 300K.