[Pw_forum] evaluating band structure

Muhammad Adnan Saqlain adnansaqlain at gmail.com
Wed Jun 15 00:30:18 CEST 2016


Dear Prof. Osmair
Thanks alot for suggesting such a nice program (quantamwise).
Regards
Adnan

On Wed, Jun 15, 2016 at 2:06 AM, Osmair Vital Osmair <osmairvital at gmail.com>
wrote:

> Dear,
> You can use the Virtual Nano Lab package (
> http://quantumwise.com/products/vnl).
> This software read the output of the band.x and plot the bands.
>
>
> 2016-06-13 20:45 GMT-03:00 Dae Kwang Jun <jdaekwang at gmail.com>:
>
>> Dear Muhammad Adnan Saqlain,
>>
>> You can use the program plotband.x. Running this program in a single core
>> will give you a plot in ps and xmgrace. The command should be something
>> like /path/to/plotband.x yourfile.bands.dat. From there you can specify
>> energy range, etc.  Also, if I recall correctly, executing bands.x should
>> give you a dat.gnu file. However, I am not sure since which version of QE
>> this is done. The dat.gnu file can be plotted with gnuplot. Or you can copy
>> the contents of the gnu.dat file to excel and plot/manipulate it. Note that
>> the energies in the dat.gnu are in Ry, not eV.
>>
>>
>>
>>
>>
>> On Mon, Jun 13, 2016 at 12:24 PM, <nazari at iasbs.ac.ir> wrote:
>>
>>> Hi
>>>
>>> You can try Microsoft Excel or Tecplot softwares.
>>>
>>> Regards
>>> Fariba Nazari
>>> IASBS
>>>
>>>
>>> > Hello everyone
>>> > can anyone guide on to extract band structure from the file produced
>>> after
>>> > running the bands.x? Is there any software which can extract bands and
>>> > make
>>> > figure from this file?
>>> >
>>> > --
>>> > Best Regards
>>> > Adnan
>>> > Q.A.U Islamabad
>>> >
>>> > --
>>> > This message has been scanned for viruses and
>>> > dangerous content by MailScanner, and is
>>> > believed to be clean.
>>> >
>>> > _______________________________________________
>>> > Pw_forum mailing list
>>> > Pw_forum at pwscf.org
>>> > http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>>
>>>
>>> --
>>> This message has been scanned for viruses and
>>> dangerous content by MailScanner, and is
>>> believed to be clean.
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Prof. Dr. Osmair Vital de Oliveira
> Instituto Federal de São Paulo - IFSP
> Campus Catanduva
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Best Regards
Muhammad Adnan Saqlain
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160615/91640cde/attachment.html>


More information about the users mailing list