[Pw_forum] request help for gaas band structure

[程迎春]

Please check the unit of the k point!

K_POINTS
36

You can try to use the crystal unit of the k point in your gaasban.in file.

K_POINTS  crystal
36
.......

2009/11/26 mohsen modaresi <modaresi.mohsen at gmail.com>:
> Hi
> I do this again with another input files, and gain this band structure, the
> dereference are omited but energy scale is not true, I there any problem in
> my calculations?
> Thanks
>
> Mohsen Modaresi
>
> On Thu, Nov 26, 2009 at 12:07 AM, Davide Ceresoli <ceresoli at mit.edu> wrote:
>>
>> mohsen modaresi wrote:
>> > Dear Q.E users
>> > I try to plot GaAs band structure, I follow this procedure
>> > 1) I run pw.x with gaasspw.in <http://gaasspw.in>
>> It's always a good idea to look at your structure with XCrysden.
>> GaAs is diamond, not rock-salt. Also check your lattice spacing.
>
>
>>
>> Davide
>>
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>
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-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com