Zahra,
You've posted to the list before with regards to this system. Why are you
still plotting a band structure path in reciprocal space of a molecule?
Please prove to us that you can explain what you're trying to do and then
we can help you solve your issue. By the way, it's always helpful to
in
hi every body,
I runned this fdf with siesta but I don`t know why my DOS diagram doesn`t show
the same band gap as my band structure showes. Can any body tell me about that.
or guid me that how can I solve this question.
regards
nanodisk.fdf
Description: Binary data
السلام عليكم اخي العزيز مصطفى
انا اخوك ايضا اعمل نفس الكود ولكن لم اجد الفايل او رسم لكي استطيع من خلاله
ان اساعدك
On Wed, Jan 30, 2013 at 3:26 PM, Mostafa Shabani <
mostafa.nanophys...@gmail.com> wrote:
> Dear siesta users,
>
>
> I simulated pure GaN nanotube unit cell at 300 K by GGA approx. B
