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• 15:01, 15 April 2022 Karsai talk contribs deleted page Diffusion coefficient liquid Si freezing (content was: "<pre> #!/usr/bin/python import sys import re import math #setting grid for histogram potim = 3 #timestep from INCAR file readfile = open(sys.argv[1],"r") #input XDATCAR file in format XDATCAR.TEMP temp=re.sub("XDATCAR.",,sys.argv[1]) #extracts temperature from input file name z=0 #counter natoms=0...", and the only contributor was "Karsai" (talk))