Hello all, I am new to use PWscf code. I have been trying to calculate the phonon dispersion of a 2d structure using Pwscf code. Dynamical matrices have been calculated with 4x4x1 mesh. Then I have used 'q2r.x' and 'matdyn.x' to get the phonon dispersion curves. The structure of the unit cell is orthorhombic and the high symmectric kpoint path is taken as G-Y-S-X-G. Now If I look at the dispersion curve, the frequencies at Gamma(G) point ( approaching from G-Y, i.e along y-axis in reciprocal space) is different from the frequencies at Gamma(G) point (approaching from X-G, i.e along x-axis in reciprocal space). How can frequency be different at Gamma point? Though I have got positive frequency at any k-points after execution of 'matdyn.x'. Am I doing anything wrong?
Thanking you in advance. atanu
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