Dear Dr. Elie Moujaes, No, it should be the first column real part of x, second column real part of x, third and fourth real and imaginary part of y, and so on..
Best regards Chiara Cignarella PhD THEOS-EPFL Switzerland On 25 Jan 2024, at 15:33, Elio Physics <elio-phys...@live.com> wrote: Dear all, I have a naive question (only to make sure) regarding the format of the phonon eigenvector at a certain point q, produced in the .eig or (matdyn.modes) file(s). Let us take a phonon wave vector: q = ( 0.000000041 -0.288465197 0.000000000 ) ************************************************************************** freq ( 1) = 2.149626 [THz] = 71.703791 [cm-1] ( -0.000000 0.000000 -0.000000 0.000000 -0.010327 0.000000 ) ( -0.000000 0.000000 0.000000 0.000000 -0.554305 0.000000 ) ( -0.000000 0.000000 -0.257860 0.000000 0.210723 0.000000 ) ( -0.000000 0.000000 -0.213878 0.000000 -0.435522 0.000000 ) ( 0.000000 0.000000 0.257860 0.000000 0.210723 0.000000 ) ( 0.000000 0.000000 0.213878 0.000000 -0.435522 0.000000 ) Does the 1st column represent the real part of the displacement vector along the x direction, the 4th column is its imaginary part, the 2nd column is the real part of the y component, and the 5th column is its imaginary part, and so on? Thanks Dr. Elie Moujaes Fedearl University of Rondonia Brazil _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users