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Dear Tommaso,
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<div>When plotting a band structure you need to specify the path in the Brillouin zone along which to plot it. This is done with the “kpoint_path” input parameter block (see the user guide for more details). In the input file for this particular example with
silicon, there should be a block of parameters for specifying the path and which is probably commented out. If you uncomment these lines then it should work.</div>
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<div>Best wishes,</div>
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<div>Arash</div>
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<div>—</div>
<div>Dr Arash Mostofi — <a href="http://www.mostofigroup.org">www.mostofigroup.org</a></div>
<div>Imperial College London</div>
<div>Director, Thomas Young Centre @Imperial</div>
<div>Assistant Director, CDT in Theory & Simulation of Materials</div>
<div>Warden, Wilkinson & Weeks Hall</div>
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<div>On 23 Jul 2014, at 18:15, Tommaso Francese <<a href="mailto:neutrinofrancese@gmail.com">neutrinofrancese@gmail.com</a>> wrote:</div>
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Dear all W. users,
<div>my name is Tommaso Francese and i’m beginner in Wannier90 computational approach. So, it might be a stupid question, but when i try to follow the <a href="http://www.wannier.org/cecam07/tutorial_cecam.pdf">http://www.wannier.org/cecam07/tutorial_cecam.pdf</a>,
i’m able to do the first part (Silicon Valence Bands), until the XcrysDen file generation; but the next (Valence + Conduction State), following the tutorial fails, and the silicon.werr warns me as follow:</div>
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<div style="margin: 0px; font-size: 11px; font-family: Menlo;"> Wannier90: Execution started on 23Jul2014 at 19:08:27 </div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;"> Exiting.......</div>
<div style="margin: 0px; font-size: 11px; font-family: Menlo;"> A bandstructure plot has been requested but there is no kpoint_path block</div>
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<div style="margin: 0px;">Can you help me? </div>
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<div style="margin: 0px;">I added the two strings as suggested in the tutorial, but it doesn’t work.</div>
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<div style="margin: 0px;">Thanks in advance for every tips,</div>
<div style="margin: 0px;">Best,</div>
<div style="margin: 0px;">Tommaso.</div>
<div style="margin: 0px;">Università Cà Foscari di Venezia</div>
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