K-resolved Device dos

[cca_rmv]

What I really want is to plot contribution form particular atom in device dos, however in 2D Brillouin zone as function of kx and ky at E=EF.  I was essentially thinking if there is anyway of inserting elements information line 38 i.e, parallel_calculator = NLEngine.ParallelDensityOfStatesCalculator(stdv_energies, stdv_kpoints of above script kdos.py.

[cca_rmv]

I am trying to use kdos.py with  2015.2 version, but getting error like "ParallelDensityOfStatesCalculator_calculate() takes exactly 7 arguments (6 given)".   Script worked for the older version 13.8.2...  I would appreciate any idea to make this script usable for newer version of atk as well.

Thank you.   

[Ulrik G. Vej-Hansen]

We no longer support the 2015 versions, please consider upgrading to a more recent version. Please search our documentation for a solution, but it is not guaranteed to work for such an old version.

P.S. The 2015.2 release does not exist, so I believe you made a typo in the version number.

[cca_rmv]

I agree the version number should be  2015.1 not 2015.2. .  Would you please point me what documents to search, I obviously looked as much as I can find, however so far no luck..
Thank you

[Ulrik G. Vej-Hansen]

Could you post the script, please? It will make it easier to understand what you are trying to do.

[cca_rmv]

 I am trying to run kdos.py script posted on August 26, 2013..  see above in the same post.

[Petr Khomyakov]

Unfortunately, 2013 and 2015 versions of VNL-ATK are no longer supported.

[cca_rmv]

What is the last version you support? I got the same error with version 2016.3.  I would appreciate if you can help with this error..

[Petr Khomyakov]

We support 2017.12 and 2018.06. There is one more issue with that script, as it has underscore (private) functions that are not used in newer versions anymore.  I think that instead of k-resolved DOS, you could calculate k-resolved Transmission Spectrum at zero bias for a perfect bulk system in the direction of interest. Transmission Spectrum is proportional to DOS, so that it will give you essentially the same information for making a qualitative analysis and visualization of DOS distribution over the 2D Brillouin zone.