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<p>Hi,</p>
<p><br>
</p>
<p>Thanks for the reply.</p>
<p><span style="font-size: 12pt;">I have checked the *.wout file and there is no error. Also, the *.werr file is not created. Further, I am aware that seedname is not literally the seedname and it is replaced with the name of the *.win file.</span><br>
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It would be very helpful if you could share some of your input files, so I could check if there is any issue with my install of wannire90. </div>
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Regards,</div>
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Ghadiyali Mohammed Kader<br>
<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Dominik Gresch <greschd@phys.ethz.ch><br>
<b>Sent:</b> Wednesday, May 17, 2017 10:39 PM<br>
<b>To:</b> Mohammed Ghadiyali; wannier@quantum-espresso.org<br>
<b>Subject:</b> Re: [Wannier] Help in generating the files for TBmodel</font>
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<p>Hi,</p>
<p><br>
</p>
<p>In principle setting these parameters should produce the required files (write_xyz produces the *.xyz file, write_hr produces the *_hr.dat file, and use_ws_distance produces *_wsvec.dat). Do you get an error in your calculation, or are the files just absent?
Check the *.wout and *.werr files for any errors.</p>
<p><br>
</p>
<p>Also, note that the filenames will not be literally "seedname.*", but "seedname" will be replaced by the name of your *.win file.</p>
<p><br>
</p>
<p>Best regards,</p>
<p>Dominik Gresch<br>
</p>
<br>
<div class="moz-cite-prefix">On 17.05.2017 13:34, Mohammed Ghadiyali wrote:<br>
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<p style="">Dear ALL,</p>
<p style=""><br>
</p>
<p style="">This question might be completely off, so I apologize for it before hand.</p>
<p style="">I am trying to generate the following data files for use with TBmodel [1]. It is to be used with wannier90 for creating hamiltonian to be used with kwant. So as per the tutorial, I need the following files:</p>
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<li>seedname_hr.dat </li><li>seedname_wsvec.dat </li><li>seedname_centers.xyz </li></ul>
<div>Just to make sure that I do not mess up the wannier90's input, I am using the given examples, but even after modifying the wannier90 input via adding the following lines:</div>
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<div><span>write_xyz = .true.</span><br>
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<div><span>
<div>write_hr = .true.</div>
<div>write_rmn = .true.</div>
<div>write_tb = .true.</div>
<div>use_ws_distance = .true.</div>
<div><br>
</div>
</span></div>
<div>I am not being able to create the above-mentioned files. Please help.</div>
<div><br>
</div>
<div>Regards,</div>
<div>Ghadiyali Mohammed Kader,</div>
<div>Research Student,</div>
<div>Dept. of Physics,</div>
<div>University of Mumbai.</div>
<div><br>
</div>
<div>Ref:</div>
<div>1. <a href="http://z2pack.ethz.ch/tbmodels/doc/1.1/tutorial.html" class="OWAAutoLink" id="LPlnk735532" previewremoved="true">http://z2pack.ethz.ch/tbmodels/doc/1.1/tutorial.html</a></div>
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