Right.Sorry if this was not clear enough from the documentation:my "phdos" is intended to be used on Gamma phonon calculated on a (probably large) cell,that is, for a case when the number of atoms is the .XV file is the same asthe number of atoms for which eigenvectors are calculated.The idea is, to broaden a discrete spectrum of (presumably many) linesof Gamma-vibration frequencies, not to integrate the density of modes fromthe phonon dispersions over the Brillouin zone.In your case, the .XV file contains 125 atoms (5x5c1 supercell à 5 atoms)but the eigenvectors are calculated for 5 atoms only (and this over a path of many q-points).Ghe "phdos" identifies 125 atoms in the .XV file and attempts to read the eigenvectors for all of thembut finds the data for 5 atoms only, hence the error message and termination.So such behaviour is as expected.In order to solve exactly your problem I started to work some time ago on an auxiliary code which expandsa "partial" FC file into a "full" FC file (which would result from displacing all atoms in the supercelland not only "prototype" ones in the original single cell). It was not extensively testedand does not immediately work on our example although in principle it should; I'll check what is the problem and let you know.Best regardsAndrei Postnikov ----- AK- HYDRA <alokka...@gmail.com> a écrit : >Hello sir/ma'amHere, I got same issue every time i.e., Error reading real part >of eigenvector 1 iat= 6while using 'phdos' available on github within >'Lattice_dynamics'.I am going to attach my .vector, .FC, *.fdf, and .XV file, >need suggestion please thank you
--
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
