[gpaw-users] Plotting error

Varadharajan Srinivasan varadharajan.srinivasan at gmail.com
Wed Apr 27 06:19:13 CEST 2016 

I was using the development version gpaw-1.0.1b1. Does this also have the
bug? I will the latest one.

Best,
Vardha.

On Wed, Apr 27, 2016 at 9:38 AM, Jens Jørgen Mortensen <jensj at fysik.dtu.dk>
wrote:

> Den 27-04-2016 kl. 06:00 skrev Varadharajan Srinivasan:
>
> Dear Jens,
>
> I think I solved the problem. The issue was with the location on latex. I
> had to do the following to get it to work
>
> 1. Make a link for the latex binaries (since in El Capitan /usr/texbin is
> no longer the path for these).
>      sudo ln -s
> /Library/TeX/Distributions/.DefaultTeX/Contents/Programs/texbin
> /Library/TeX/texbin
> 2. Add the following lines in the python script for plotting :
>
>     import os
>     os.environ['PATH'] = os.environ['PATH'] + ':/Library/TeX/texbin'
>
> With these the script proceeded to give me a png file. However, the
> spin-dependent colour scheme in the plot is now messed up as compared to
> the example. I will look into this a little and further and let you know if
> I continue to have problems.
>
>
> Unfortunately there is a bug in the spinorbit.py that was in GPAW-1.0.
> Maybe you are being hit by that.  Try latest master from gitlab.
>
> Jens Jørgen
>
>
>
> Best,
> Vardha.
>
> On Tue, Apr 26, 2016 at 10:22 PM, Varadharajan Srinivasan <
> <varadharajan.srinivasan at gmail.com>varadharajan.srinivasan at gmail.com>
> wrote:
>
>> Dear Jens,
>>
>> I did an upgrade install and still got an error (below).
>>
>> Traceback (most recent call last):
>>   File "MoS2_bands_plot.py", line 37, in <module>
>>     plt.savefig('MoS2_bands.png')
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/pyplot.py",
>> line 688, in savefig
>>     res = fig.savefig(*args, **kwargs)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/figure.py",
>> line 1565, in savefig
>>     self.canvas.print_figure(*args, **kwargs)
>>   File
>> "/usr/local/lib/python2.7/site-packages/matplotlib/backend_bases.py", line
>> 2232, in print_figure
>>     **kwargs)
>>   File
>> "/usr/local/lib/python2.7/site-packages/matplotlib/backends/backend_agg.py",
>> line 527, in print_png
>>     FigureCanvasAgg.draw(self)
>>   File
>> "/usr/local/lib/python2.7/site-packages/matplotlib/backends/backend_agg.py",
>> line 474, in draw
>>     self.figure.draw(self.renderer)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>> line 61, in draw_wrapper
>>     draw(artist, renderer, *args, **kwargs)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/figure.py",
>> line 1159, in draw
>>     func(*args)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>> line 61, in draw_wrapper
>>     draw(artist, renderer, *args, **kwargs)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/axes/_base.py",
>> line 2324, in draw
>>     a.draw(renderer)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>> line 61, in draw_wrapper
>>     draw(artist, renderer, *args, **kwargs)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/axis.py", line
>> 1108, in draw
>>     renderer)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/axis.py", line
>> 1058, in _get_tick_bboxes
>>     extent = tick.label1.get_window_extent(renderer)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/text.py", line
>> 961, in get_window_extent
>>     bbox, info, descent = self._get_layout(self._renderer)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/text.py", line
>> 352, in _get_layout
>>     ismath=False)
>>   File
>> "/usr/local/lib/python2.7/site-packages/matplotlib/backends/backend_agg.py",
>> line 229, in get_text_width_height_descent
>>     renderer=self)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/texmanager.py",
>> line 675, in get_text_width_height_descent
>>     dvifile = self.make_dvi(tex, fontsize)
>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/texmanager.py",
>> line 422, in make_dvi
>>     report))
>> RuntimeError: LaTeX was not able to process the following string:
>> 'lp'
>> Here is the full report generated by LaTeX:
>>
>>
>>
>>
>> On Tue, Apr 26, 2016 at 3:54 PM, Jens Jørgen Mortensen <
>> <jensj at fysik.dtu.dk>jensj at fysik.dtu.dk> wrote:
>>
>>> On 04/26/2016 09:27 AM, Varadharajan Srinivasan via gpaw-users wrote:
>>>
>>> Dear all,
>>>
>>> I was trying out a tutorial calculation on WS2 band structure with
>>> spin-orbit coupling. I modified the system to MoS2 and tried out the python
>>> scripts given in the tutorial. At the plotting stage I get the following
>>> error :
>>>
>>>
>>> What version of matplotlib do you have?  You could try to a "pip install
>>> -U --user matplotlib" and see if that helps.
>>>
>>> Jens Jørgen
>>>
>>>
>>>  plt.savefig('MoS2_bands.png')
>>>
>>> Traceback (most recent call last):
>>>   File "<stdin>", line 1, in <module>
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/pyplot.py",
>>> line 688, in savefig
>>>     res = fig.savefig(*args, **kwargs)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/figure.py",
>>> line 1565, in savefig
>>>     self.canvas.print_figure(*args, **kwargs)
>>>   File
>>> "/usr/local/lib/python2.7/site-packages/matplotlib/backend_bases.py", line
>>> 2232, in print_figure
>>>     **kwargs)
>>>   File
>>> "/usr/local/lib/python2.7/site-packages/matplotlib/backends/backend_agg.py",
>>> line 527, in print_png
>>>     FigureCanvasAgg.draw(self)
>>>   File
>>> "/usr/local/lib/python2.7/site-packages/matplotlib/backends/backend_agg.py",
>>> line 474, in draw
>>>     self.figure.draw(self.renderer)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>>> line 61, in draw_wrapper
>>>     draw(artist, renderer, *args, **kwargs)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/figure.py",
>>> line 1159, in draw
>>>     func(*args)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>>> line 61, in draw_wrapper
>>>     draw(artist, renderer, *args, **kwargs)
>>>   File
>>> "/usr/local/lib/python2.7/site-packages/matplotlib/axes/_base.py", line
>>> 2324, in draw
>>>     a.draw(renderer)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/artist.py",
>>> line 61, in draw_wrapper
>>>     draw(artist, renderer, *args, **kwargs)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/lines.py",
>>> line 739, in draw
>>>     ln_color_rgba = self._get_rgba_ln_color()
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/lines.py",
>>> line 1251, in _get_rgba_ln_color
>>>     return colorConverter.to_rgba(self._color, self._alpha)
>>>   File "/usr/local/lib/python2.7/site-packages/matplotlib/colors.py",
>>> line 376, in to_rgba
>>>     'to_rgba: Invalid rgba arg "%s"\n%s' % (str(arg), exc))
>>> ValueError: to_rgba: Invalid rgba arg "0.5"
>>> to_rgb: Invalid rgb arg "0.5"
>>> cannot convert argument to rgb sequence
>>>
>>>
>>> Have I missed installing some libraries? I am working on a brew-based
>>> installation of ase and gpaw on El Capitan Mac OS X.
>>>
>>> Thanks,
>>> Vardha.
>>>
>>>
>>>
>>> _______________________________________________
>>> gpaw-users mailing listgpaw-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>>>
>>>
>>>
>>
>
>
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