Query on coupling constant(gp)


I am using fix/ttm command for simulations in copper. I found the value of coupling coeff (ge-p) from a paper by R.E Jones at one temperature.
How good is the approximation that g does not change with time. I am able to find values of heat capacity and conductiivty from literature as a function of T but i am not sure how g is going to vary. Is there a good way to estimate it ?


I'll let Paul answer this ...



I don’t know how g will vary with T. You might consider contacting the author of that paper you mention. And re-examine the papers we cite in the fix ttm documentation — there may be some clues in there for you.