<div><br>Hi Giovanni Pizzi<br><br>pls ingnore the repeated email. Thanks for your suggestions. I will try later.</div>
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<div><i> Wayne, Yan<br></i><i> Division of Physics and Applied Physics</i></div>
<div><i> School of Physical and Mathematical Sciences<br></i><i> Nanyang Technological University, Singapore<br></i><br></div>
<div class="gmail_quote">2014-05-06 16:29 GMT+08:00 jiaxu yan <span dir="ltr"><<a href="mailto:yanjiaxu@gmail.com" target="_blank">yanjiaxu@gmail.com</a>></span>:<br>
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<div>Hi all</div>
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<div>Sorry to bother you again. Still the same problem: How to get the k-space H(k) in Wannier functions basis<br>instead of the real space Hamiltonian H(R) given in case_hr.dat? After scf and nscf calculations, I want to obtain the model Hamiltonian using wannier_ham.x for graphene. I have tried different version of pwscf and different potential...But it always failed and one error always occurs:</div>

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<div><strong> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine wannier_proj (1):<br>     wrong orthogonalization on k-point<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</strong></div>
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<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>
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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></div></div></div><br></div><br></div></div></blockquote>
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