<div dir="ltr">Dear Jiaxu,<div>please find attached input file that works. An explanation why it is so you can find in my previous email.</div><div class="gmail_extra"><br><br><div class="gmail_quote">2014-05-05 20:29 GMT+06:00 jiaxu yan <span dir="ltr"><<a href="mailto:yanjiaxu@gmail.com" target="_blank">yanjiaxu@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div>Hi all</div>
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<div>Sorry to bother you again. Still the same problem: After scf and nscf calculations, I want to obtain the model Hamiltonian using wannier_ham.x for graphene.</div>
<div>I have tried different version of pwscf and different potential...But it always failed and one error always occurs:</div><div class="">
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<div><strong> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine wannier_proj (1):<br>     wrong orthogonalization on k-point<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</strong></div>


</div><div><strong>     stopping ...<br> </strong></div>
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<div>I am struggling and need help.... Anyone can help me fixing this problem? All related files are attached.  </div><div class="HOEnZb"><div class="h5">
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<div>Wayne, Yan<br>Division of Physics and Applied Physics<br>School of Physical and Mathematical Sciences<br>Nanyang Technological University, Singapore<br></div>
</div></div><br>_______________________________________________<br>
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<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br><br><br>Best regards,<br>Dr. Dmitry Korotin<br>
<br>Institute of Metal Physics<br>S. Kovalevskaya, 18<br>620990 Yekaterinburg<br>Russia
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