Dear Ari Paavo Seitsonen
First, thank you for your response. You're so helpfull.
If i understood, Xcrysden generates a crystal coordinates(Reciprocal
coordinates) but it gave me a wrong dispersion curve when plotted. By your
response you mean that the coordinates which were pasted below (and were
generated by plothon) are in the tpiba(2pi/a) unit, without forgetting that
these ones gave me the right dispersion curve. Can xcrysden give me a tpiba
coordinates inspite of reciprocal ones? and how?
In this case how to generate tpiba coordinates(which give me the right
dispersion curve) without using Plotphon?????
I will be very happy if you could enlightened me more on this "as the second
point looks like (-1/3,2/3) above but contains apparently the 1/sqrt(3) ~=
0.57735... in the generated k points. What is 1/sqrt(3) ~= 0.57735????
I'am sorry if i have asked a lot of questions but i really need all of
them!!!!!!
Regards.
Nh Ben
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20140503/7dc30e09/attachment.html
