[Pw_forum] How to draw the wave function
loc duong ding
mambom1902 at yahoo.com
Fri Oct 22 17:56:11 CEST 2010
>> By the way, I hope to receive replies from all of you
>really? there are 1200 subscribers to pw_forum
>There are examples, there is input documentation. Generically
>asking for more help is a sure way to irritate people.
I try to read the input document for pp processing. There are some points I can
not understand.
The input for k_point is integer. Does it mean the order of k-point we use in
the input file to calculate band structure? Example for calculation band, I put
these K-points: K_points {crystal}
5
0 0 0 1
0 0 0.1 1
0 0 0.3 1
0 0 0.4 1
0 0 0.5 1
If I chose k-point =2, it is at the (0, 0, 0.1) point?
Another point is the band we want to draw. If I want to draw the band just below
the fermi level, how I can know the order of the band?
I appreciate all your help.
Sincerely,
-----------------------------------------------
Loc Duong Dinh
Ms-Ph.D Student
Sungkyunkwan Advanced Institute of Nanotechnology,
Sungkyunkwan University,
Suwon, 440-746, Korea
Email: mambom1902 at yahoo.com, ddloc at skku.edu
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