[Pw_forum] Re: how to get Interatomic force constants

[ruizhi zhang]

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

 		
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