[Wannier] kslice Matplotlib griddata error

[Vahid Askarpour]

Hi Bhargab,

Your solution worked. Many thanks.
Vahid

> On Nov 9, 2023, at 8:13 AM, Bhargab Kakati <bhrgabkakati at iasst.res.in> wrote:
> 
> CAUTION: The Sender of this email is not from within Dalhousie.
> 
> On 2023-11-09 17:30, Vahid Askarpour wrote:
>> Dear Wannier90 community,
>> 
>> I am using Wannier90/3.1.0 to plot a slice of my data. The postw90.x
>> creates the necessary python code but I get the following error when
>> running this python script:
>> 
>> File
>> "/gpfs/scratch/vaskarpo/Mn3Ge_hex/kslice/wannier90-kslice-curv_x+fermi_lines.py",
>> line 64, in <module>
>>    valint = ml.griddata(points_x,points_y, val_log, xint,yint)
>> AttributeError: module 'matplotlib.mlab' has no attribute ‘griddata'
>> 
>> Does any one know how to remedy this? I tried replacing the ml.griddata
>> with scipy.interpolate.griddata but then I get the following error:
>> 
>>  File
>> "/gpfs/scratch/vaskarpo/Mn3Ge_hex/kslice/wannier90-kslice-curv_x+fermi_lines.py",
>> line 64, in <module>
>>    valint = interpolate.griddata(points_x,points_y, val_log, grid_x,
>> grid_y)
>>  File
>> "/cvmfs/soft.computecanada.ca/easybuild/software/2020/avx512/Core/scipy-stack/2023b/lib/python3.10/site-packages/scipy/interpolate/_ndgriddata.py",
>> line 253, in griddata
>>    if ndim == 1 and method in ('nearest', 'linear', 'cubic'):
>> ValueError: The truth value of an array with more than one element is
>> ambiguous. Use a.any() or a.all()
>> 
>> I am attaching the python script.
>> 
>> Any suggestion is appreciated.
>> 
>> Thanks,
>> Vahid
>> 
>> 
>> _______________________________________________
>> Wannier mailing list
>> Wannier at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/wannier
> 
> Hello,
> 
> I encountered a similar issue a while back and was able to tackle it by
> commenting out the line "valint = ml.griddata(points_x,points_y,
> val_log, xint,yint)" and replacing it with "valint =
> interpolate.griddata((points_x,points_y), val_log, (grid_x, grid_y),
> method='nearest')  # or 'cubic' or 'nearest', as requiredS". Hope it
> helps.
> 
> Regards,
> 
> Bhargab Kakati,
> Research Scholar,
> Computational Materials Science lab,
> Institute of Advanced Study in Science and Technology,
> Guwahati-781035, Assam, India