input parameters (shown in the line 14 - line 20 in the source code):

(1) TEMP: temperature with unit K

(2) ACTENGL: activation energy of the diffusivity in low-energy grain boundary, unit eV

(3) ACTENGH: activation energy of the diffusivity in high-energy grain boundary, unit eV

(4) DEFF0L: pre-factor of the diffusivity in low-energy grain boundary, unit m^2/s

(5) DEFF0H: pre-factor of the diffusivity in how-energy grain boundary, unit m^2/s

(6) FRACTION: fraction of high-energy grain boundary, no unit, should be between 0 and 1

(7) NLOOP: number of loops used to calculate the average effective diffusivity. The default value is 10000.


Output files:

(1) Deff.txt: the average effective diffusivity

(2) Deff_dev.txt: the standard deviation of the effective diffusivity

(3) Deff_dis.txt: the statistical distribution of the effective diffusivity. It includes two columns. The first column shows the value of the effective diffusivity, and the second column shows its fraction.