Hey there everyone, do you know how to change the number ofBloch wavevectors to compute the bands at? If I use:
(set! k-points (list (vector3 0 0 0) ; Gamma (vector3 0.5 0 0) ; X (vector3 0.5 0.5 0); M (vector3 0 0 0))) ; Gamma then I get16 points where the eigenvalues are computed by the program: (#(0 0 0) #(0.1 0.0 0.0) #(0.2 0.0 0.0) #(0.3 0.0 0.0) #(0.4 0.0 0.0) #(0.5 0 0)#(0.5 0.1 0.0) #(0.5 0.2 0.0) #(0.5 0.3 0.0) #(0.5 0.4 0.0) #(0.5 0.5 0) #(0.4 0.4 0.0)#(0.3 0.3 0.0) #(0.2 0.2 0.0) #(0.1 0.1 0.0) #(0 0 0)) but is it possibile to customize the number of k-points? For instance I need 31 k-points where to compute the eigenvalues. Thank you in advance for paying attention, pietro ------------------------------------------------------------------------------- Valore legale alle tue mail InterfreePEC - la tua Posta Elettronica Certificata http://pec.interfree.it ------------------------------------------------------------------------------- _______________________________________________ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss