Hello everyone, I have tried to calculate the phonon disperation of CdCNi3. I wrote in the file CdCNi3.ph.in as follow: ldisp=.true., nq1=4, nq2=4, nq3=4, iq1=2, iq2=1, iq3=1, but in the file CdCNi3.dyn0 , I got 4 4 4 1 0.0 0.0 0.0 I changed the value of iq1,iq2,iq3 to 2,2,1, I still got 0.0 0.0 0.0. I set the value as 3 3 2, I got 0.25 0.25 0.25. When the value is 3 3 3, I got -0.5 -0.5 -0.5.(This is right.) I tried all the 10 unequivalent points of 4*4*4 grid(simple cube), I only got 3 different outputs. What's the problem? Can you help me? Thanks a lot! li-ming-fan
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