You got it, now it works fine!!!!
Thanks for the helpful support.
I have another question:
can I use the run-tm-yeven function for the triangular lattice?
I tried with this parameters
(set! geometry-lattice (make lattice (size 1 1 no-size)
(basis1 (/ (sqrt 3) 2) 0.5)
(basis2 (/ (sqrt 3) 2) -0.5)))
(set! k-points (list (vector3 0 0 0) ; Gamma
(vector3 0.5 0.5 0))) ; M
but the (run-tm-yeven) function produces inconsistent results in
comparison with the (run_tm) function.
I understood that the tm-yeven function has a limitation to the
orthogonal basis vectors. Is there any way to use it for the triangular
lattice case?
Thanking you again
Emiliano
Steven G. Johnson wrote:
My other guess is that it is a floating-point rounding thing: that
0.25 in the list is slightly different from the 0.25 you are
specifying due to rounding.
The best thing to do might be to take the element directly from the
k-points list. e.g.
(list-ref k-points 13)
will return the (0,0.25,0) element if I counted correctly.
Steven
--
Il messaggio e' stato analizzato alla ricerca di virus o
contenuti pericolosi da MailScanner, ed e'
risultato non infetto.
_______________________________________________
mpb-discuss mailing list
[email protected]
http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
