[Pw_forum] CP.x "Mean Square Displacement" units

[S. Sanchez]

Dear all,


I have run some examples with the CP.x code and the end it prints:

Species    Temp (K)    Mean Square Displacement (a.u)

where, a.u. --> bohr;

thus, Mean Square Displacement "bohr^2", right?


For the total simulation time, it should be equal to:

total simulation time = nsteps * dt

where, "dt" is given in units of 2.4189x10^-17 s, right?

Thanks,
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