#This file is one of the input files for the program 'band2eps' #number of atoms in a cell : natom 5 #minimum value, maximum value and number of tics of the vertical axe : min -300 max 900 ngrad 4 #Units : 1 for cm-1, 2 for THz : cunit 1 #Number of lines : nlines 4 #Description of the points in q space : qpoint_name gamma X M gamma R #Number of q points for each line : nqline 10 10 10 11 #Scale factor for each line : scale 1.0 1.0 1.41 1.73 #COLOR DEFINITION : #put 1 in place of the atom you want to be colored in #red red 1 0 0 0 0 #green green 0 1 0 0 0 #blue blue 0 0 1 1 1 #%% #%% [setup] #%% executable = band2eps #%% test_chain = t50.in, t51.in #%% [files] #%% files_to_test = #%% t51.out.eps, tolnlines = 6, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = M. Veithen #%% keywords = #%% description = #%% Code band2eps: Produce the phonon band structure, in a eps file. BaTiO3, cubic structure. #%%