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
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
