Try this:

$> gnubands 1> bands.dat 2> bands.gplot
$> gnuplot -persist bands.gplot

The output data file is a simple datafile, it cannot be parsed directly by
gnuplot, but instead it must be plotted using gnuplot commends.



2016-09-11 13:52 GMT+02:00 Uttam Paliwal <uttam...@gmail.com>:

> continued...
>
> i get following error message
>
>  gnuplot> 0.012246    -15.945800  1
>          ^
>          ..\Bands\si_bandpoints.dat", line 17: invalid command
>
> On Sun, Sep 11, 2016 at 5:20 PM, Uttam Paliwal <uttam...@gmail.com> wrote:
>
>> Hi
>> Thanks for support. I have generated correct .bands file. But now when i
>> run gnubands script and generate a file for gnuplot then this file is not
>> executed by gnuplot. I am sending both the si_bandpoints.bands and
>> si_bandpoints.dat (generated using gnubands) files.
>> Also there is lake of new.gnubands program in the Util/Bands folder.
>>
>> thanks
>>
>> On Sat, Sep 10, 2016 at 4:58 PM, Suman Chowdhury <
>> sumanchowdhur...@gmail.com> wrote:
>>
>>> you can get them from published paper..
>>>
>>> On Sep 10, 2016 4:25 PM, "Uttam Paliwal" <uttam...@gmail.com> wrote:
>>>
>>>> is there any resource or website from where  can get the above data
>>>>
>>>> On Sat, Sep 10, 2016 at 12:30 PM, Suman Chowdhury <
>>>> sumanchowdhur...@gmail.com> wrote:
>>>>
>>>>> For that you need to provide two quantities. The lattice vectors and
>>>>> the unit cell coordinate. That is all to specify the crystal structure.
>>>>>
>>>>> On Sat, Sep 10, 2016 at 12:10 PM, Uttam Paliwal <uttam...@gmail.com>
>>>>> wrote:
>>>>>
>>>>>> then how to specify the crystal structures
>>>>>>
>>>>>> On Sat, Sep 10, 2016 at 12:00 PM, Suman Chowdhury <
>>>>>> sumanchowdhur...@gmail.com> wrote:
>>>>>>
>>>>>>> Dear Uttam,
>>>>>>>
>>>>>>> In SIESTA there is no option to provide space group number as far as
>>>>>>> I know.
>>>>>>>
>>>>>>> On Sat, Sep 10, 2016 at 11:57 AM, Uttam Paliwal <uttam...@gmail.com>
>>>>>>> wrote:
>>>>>>>
>>>>>>>> thanks prof Alberto
>>>>>>>>
>>>>>>>> Kindly clear my another small doubt. In siesta where we provide the
>>>>>>>> space group number eg for Si the space group is #216 zinc blende type
>>>>>>>> crystal structure.
>>>>>>>>
>>>>>>>> thanks and regards
>>>>>>>>
>>>>>>>> On Fri, Sep 9, 2016 at 6:16 PM, Alberto Garcia <alber...@icmab.es>
>>>>>>>> wrote:
>>>>>>>>
>>>>>>>>> Hi,
>>>>>>>>>
>>>>>>>>> Please note that the gnubands program is intended to plot band
>>>>>>>>> structures, i.e., energy values along *lines* in the BZ. The relevant 
>>>>>>>>> data
>>>>>>>>> is obtained with the "BandLines" option in Siesta. If you use the
>>>>>>>>> "BandPoints" option you get information about a set of *points* in 
>>>>>>>>> the BZ,
>>>>>>>>> which is not appropriate for a band structure plot.
>>>>>>>>>
>>>>>>>>> It is perhaps unfortunate that the file extension is the same for
>>>>>>>>> both cases. We make a note to change it.
>>>>>>>>>
>>>>>>>>>  Regards,
>>>>>>>>>
>>>>>>>>>   Alberto
>>>>>>>>>
>>>>>>>>> On 09 Sep 2016, at 12:27, Uttam Paliwal <uttam...@gmail.com>
>>>>>>>>> wrote:
>>>>>>>>>
>>>>>>>>> > hi
>>>>>>>>> > I am using siesta-4.1-b1 and running the si_bandpoints.bands
>>>>>>>>> files with gnubands. Then i found following error message on cygwin
>>>>>>>>> (windows 7) terminal
>>>>>>>>> >
>>>>>>>>> > ------------------------------------------------------------
>>>>>>>>> -----------
>>>>>>>>> >
>>>>>>>>> > hp@jks /cygdrive/f/siesta-4.1-b1/util/bands
>>>>>>>>> > $ ./gnubands < si_bandpoints.bands > up.dat
>>>>>>>>> >
>>>>>>>>> > At line 143 of file gnubands.f90 (unit = 5, file = 'stdin')
>>>>>>>>> > Fortran runtime error: Bad integer for item 1 in list input
>>>>>>>>> >
>>>>>>>>> > -- ------------------------------------------------------------
>>>>>>>>> ------------------
>>>>>>>>> >
>>>>>>>>> > i am attetching the gnubands.f90, makefile, si_bandpoints files
>>>>>>>>> herewith.
>>>>>>>>> >
>>>>>>>>> > kindly provide suggestions
>>>>>>>>> > Uttam Paliwal
>>>>>>>>> > Assistant Professor
>>>>>>>>> > Department of Physics
>>>>>>>>> > J.N.V. University
>>>>>>>>> > Jodhpur (India)
>>>>>>>>> > Phone- 7597908441
>>>>>>>>> > <gnubands.f90><Makefile><si_bandpoints.bands>
>>>>>>>>>
>>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> --
>>>>>>>> Uttam Paliwal
>>>>>>>> *Assistant Professor*
>>>>>>>> Department of Physics
>>>>>>>> J.N.V. University
>>>>>>>> Jodhpur (India)
>>>>>>>> Phone- 7597908441
>>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> --
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>> *Senior research fellow Dept. of Physics, University of
>>>>>>> Calcutta Kolkata- 700009, West Bengal, India.*
>>>>>>> * Ph no-+91-9830512232 <%2B91-9830512232>*
>>>>>>>
>>>>>>>
>>>>>>
>>>>>>
>>>>>> --
>>>>>> Uttam Paliwal
>>>>>> *Assistant Professor*
>>>>>> Department of Physics
>>>>>> J.N.V. University
>>>>>> Jodhpur (India)
>>>>>> Phone- 7597908441
>>>>>>
>>>>>
>>>>>
>>>>>
>>>>> --
>>>>>
>>>>>
>>>>>
>>>>> *Senior research fellow Dept. of Physics, University of
>>>>> Calcutta Kolkata- 700009, West Bengal, India.*
>>>>> * Ph no-+91-9830512232 <%2B91-9830512232>*
>>>>>
>>>>>
>>>>
>>>>
>>>> --
>>>> Uttam Paliwal
>>>> *Assistant Professor*
>>>> Department of Physics
>>>> J.N.V. University
>>>> Jodhpur (India)
>>>> Phone- 7597908441
>>>>
>>>
>>
>>
>> --
>> Uttam Paliwal
>> *Assistant Professor*
>> Department of Physics
>> J.N.V. University
>> Jodhpur (India)
>> Phone- 7597908441
>>
>
>
>
> --
> Uttam Paliwal
> *Assistant Professor*
> Department of Physics
> J.N.V. University
> Jodhpur (India)
> Phone- 7597908441
>



-- 
Kind regards Nick

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