<div>Yes, I am sure I correctly followed example 06. But even in example06, I donot know how to get IFC's from the results. </div> <div>The README in example06 says the IFC's is contained in the file named alas444.fc . But there are only three matrix. i.e.</div> <div><BR> T<BR> 13.7439584 0.0000000 0.0000000<BR> 0.0000000 13.7439584 0.0000000<BR> 0.0000000 0.0000000 13.7439584<BR> 1<BR> 2.5582108 0.0000000 0.0000000<BR> 0.0000000 2.5582108 0.0000000<BR>
0.0000000 0.0000000 2.5582108<BR> 2<BR> -2.5582108 0.0000000 0.0000000<BR> 0.0000000 -2.5582108 0.0000000<BR> 0.0000000 0.0000000 -2.5582108<BR> </div> <div>and the sum of matrix1 and matrix 2 is zero. It looks like they are effective charges.</div> <div>However, the README says " The output file containing the force constants in a format suitable for program matdyn.x is alas444.fc." </div> <div>So can we know IFC's from these matrix? If they are not IFC matrix.</div> <div> </div><p>
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