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<p>Hi Mohammed,</p>
<p><br>
</p>
<p>I have implemented a simple tight-binding code (TBmodels) which
can interface to both Wannier90 and kwant: <a
href="http://z2pack.ethz.ch/tbmodels/doc/1.1/">http://z2pack.ethz.ch/tbmodels/doc/1.1/</a><br>
</p>
<p><br>
</p>
<p>Here's the tutorial how to read from Wannier90 output: <a
href="http://z2pack.ethz.ch/tbmodels/doc/1.1/tutorial.html#using-wannier90-output">http://z2pack.ethz.ch/tbmodels/doc/1.1/tutorial.html#using-wannier90-output</a><br>
</p>
<p>And an example how to create a kwant system (as Jupyter
notebook): <a
href="https://github.com/Z2PackDev/TBmodels/tree/master/examples/kwant_interface">https://github.com/Z2PackDev/TBmodels/tree/master/examples/kwant_interface</a></p>
<p><br>
</p>
<p>The procedure for creating the kwant system is as follows: <br>
</p>
<p> - create a TBmodels model from Wannier90 output<br>
</p>
<p> - create a kwant lattice from the TBmodels model<br>
</p>
<p> - define the geometry of the sample within kwant</p>
<p> - use TBmodels to set the hopping and on-site parameters for
the sample<br>
</p>
<p><br>
</p>
<p>The orbitals are grouped into sub-lattices in kwant by their
position. For performance reasons, it might make sense to set the
orbital positions explicitly instead of just reading the Wannier
positions (to get fewer sublattices).<br>
</p>
<p><br>
</p>
<p>Unfortunately the kwant interface is not yet very extensively
tested, so please let me know if you encounter any problems.</p>
<p><br>
</p>
<p>Best regards,</p>
<p>Dominik Gresch<br>
</p>
<br>
<div class="moz-cite-prefix">On 27.03.2017 12:49, Mohammed Ghadiyali
wrote:<br>
</div>
<blockquote
cite="mid:BN6PR06MB304285B503F4928B9B30E935CD330@BN6PR06MB3042.namprd06.prod.outlook.com"
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<p>Hi All,</p>
<p><br>
</p>
<p>I 'm currently using QE for my calculations. But for further
calculations I am planning to use kwant [1].</p>
<p>Kwant is a tight binding software and I require tight binding
parameter or hopping parameter. It would be </p>
<p>helpful if some one could give a procedure to get these
parameters for the wannire 90.</p>
<p><br>
</p>
<p>Regards and Thanks,</p>
<p>Ghadiyali Mohammed Kader,</p>
<p>Dept. of Physics,</p>
<p>University of Mumbai.</p>
<p><br>
</p>
<p>Ref:</p>
<p>[1]: <a moz-do-not-send="true"
href="https://kwant-project.org/" class="OWAAutoLink"
id="LPlnk210709" previewremoved="true">https://kwant-project.org/</a></p>
<p><br>
</p>
<br>
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<br>
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<pre wrap="">_______________________________________________
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</pre>
</blockquote>
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