<br clear="all">Dear develepers:<div>I want to calculate bands with wannier90. I fisrt do scf and nscf with k-point 8 8 1 (my unitcell is 2 dimentioanl). Whtn I do wannier.x -pp, it has something wrong like: Error: Problem opening input file.</div>
<div>And my input file of win is:</div><div><div>num_bands =24 (nbnd=24 in nscf)</div><div>num wann =24</div><div>postproc_setup = true</div><div><br></div><div>Begin Atoms_Frac</div><div>C 1.558242801 0.901012448 0.502137722</div>
<div>C 1.390315247 0.649531755 0.501958324</div><div>C 1.390327729 1.149538060 0.488294968</div><div>C 2.058256007 1.149679764 0.502127569</div><div>C 1.890314600 0.901147094 0.488307394</div><div>
C 1.558265607 3.400998314 0.488122658</div><div>C 2.058247435 3.649671163 0.488135661</div><div>C 1.890307939 3.401133896 0.501963275</div><div>O 1.474058987 0.274676185 0.434540962</div><div>O 1.973950123 0.275893581 0.555711822</div>
<div>O 1.973938996 0.775952708 0.434556123</div><div>O 0.473934527 0.774745033 0.555713524 </div><div>End Atoms_Frac</div><div><br></div><div>bands_plot = true</div><div>restart = plot</div><div> </div><div>
Begin Projections </div><div>C:sp2,pz</div><div>O:sp3</div><div>End Projections </div><div> </div><div>begin kpoint_path</div><div>X 0.50000 0.00000 0.0000 G 0.00000 0.00000 0.0000</div><div>G 0.00000 0.00000 0.0000 M 0.50000 0.50000 0.0000</div>
<div>M 0.50000 0.50000 0.0000 X 0.50000 0.00000 0.0000 </div><div>end kpoint_path</div><div><br></div><div><br></div><div>Begin Unit_Cell_Cart</div><div>bohr</div><div> 8.299000 0.000000 0.000000 </div><div> 0.000000 9.568747 0.000000 </div>
<div> 0.000000 0.000000 43.47846</div><div>End Unit_Cell_Cart</div><div><br></div><div><br></div><div>mp_grid = 8 8 1</div><div><br></div><div><br></div><div>begin kpoints</div><div> 0.00000000 0.00000000 0.00000000 </div>
<div> 0.00000000 0.12500000 0.00000000 </div><div> 0.00000000 0.25000000 0.00000000 </div><div> 0.00000000 0.37500000 0.00000000 </div><div> 0.00000000 0.50000000 0.00000000 </div><div> 0.00000000 0.62500000 0.00000000 </div>
<div> 0.00000000 0.75000000 0.00000000 </div><div> 0.00000000 0.87500000 0.00000000 </div><div> 0.12500000 0.00000000 0.00000000 </div><div> 0.12500000 0.12500000 0.00000000 </div><div> 0.12500000 0.25000000 0.00000000 </div>
<div> 0.12500000 0.37500000 0.00000000 </div><div> 0.12500000 0.50000000 0.00000000 </div><div> 0.12500000 0.62500000 0.00000000 </div><div> 0.12500000 0.75000000 0.00000000 </div><div> 0.12500000 0.87500000 0.00000000 </div>
<div> 0.25000000 0.00000000 0.00000000 </div><div> 0.25000000 0.12500000 0.00000000 </div><div> 0.25000000 0.25000000 0.00000000 </div><div> 0.25000000 0.37500000 0.00000000 </div><div> 0.25000000 0.50000000 0.00000000 </div>
<div> 0.25000000 0.62500000 0.00000000 </div><div> 0.25000000 0.75000000 0.00000000 </div><div> 0.25000000 0.87500000 0.00000000 </div><div> 0.37500000 0.00000000 0.00000000 </div><div> 0.37500000 0.12500000 0.00000000 </div>
<div> 0.37500000 0.25000000 0.00000000 </div><div> 0.37500000 0.37500000 0.00000000 </div><div> 0.37500000 0.50000000 0.00000000 </div><div> 0.37500000 0.62500000 0.00000000 </div><div> 0.37500000 0.75000000 0.00000000 </div>
<div> 0.37500000 0.87500000 0.00000000 </div><div> 0.50000000 0.00000000 0.00000000 </div><div> 0.50000000 0.12500000 0.00000000 </div><div> 0.50000000 0.25000000 0.00000000 </div><div> 0.50000000 0.37500000 0.00000000 </div>
<div> 0.50000000 0.50000000 0.00000000 </div><div> 0.50000000 0.62500000 0.00000000 </div><div> 0.50000000 0.75000000 0.00000000 </div><div> 0.50000000 0.87500000 0.00000000 </div><div> 0.62500000 0.00000000 0.00000000 </div>
<div> 0.62500000 0.12500000 0.00000000 </div><div> 0.62500000 0.25000000 0.00000000 </div><div> 0.62500000 0.37500000 0.00000000 </div><div> 0.62500000 0.50000000 0.00000000 </div><div> 0.62500000 0.62500000 0.00000000 </div>
<div> 0.62500000 0.75000000 0.00000000 </div><div> 0.62500000 0.87500000 0.00000000 </div><div> 0.75000000 0.00000000 0.00000000 </div><div> 0.75000000 0.12500000 0.00000000 </div><div> 0.75000000 0.25000000 0.00000000 </div>
<div> 0.75000000 0.37500000 0.00000000 </div><div> 0.75000000 0.50000000 0.00000000 </div><div> 0.75000000 0.62500000 0.00000000 </div><div> 0.75000000 0.75000000 0.00000000 </div><div> 0.75000000 0.87500000 0.00000000 </div>
<div> 0.87500000 0.00000000 0.00000000 </div><div> 0.87500000 0.12500000 0.00000000 </div><div> 0.87500000 0.25000000 0.00000000 </div><div> 0.87500000 0.37500000 0.00000000 </div><div> 0.87500000 0.50000000 0.00000000 </div>
<div> 0.87500000 0.62500000 0.00000000 </div><div> 0.87500000 0.75000000 0.00000000 </div><div> 0.87500000 0.87500000 0.00000000 </div><div>End Kpoints</div><div><br></div><div>The k-poins are generated by the perl script <a href="http://kmesh.pl">kmesh.pl</a> in wannier code.</div>
<div>I do not kown where my problem.</div><div>I am the new user of wannier90 code<img src="cid:33D@goomoji.gmail" style="margin-top: 0px; margin-right: 0.2ex; margin-bottom: 0px; margin-left: 0.2ex; vertical-align: middle; " goomoji="33D"></div>
<div>Thanks!</div><div><br></div>-- <br><div style="text-align:left"><span style="font-family:'comic sans ms', sans-serif;font-weight:bold"><span style="font-size:large"><font color="#3366FF">S. D. Wang</font></span></span></div>
<div style="text-align:left"><font face="simsun, serif"><b><span style="font-size:large"><font color="#3366FF"><br></font></span></b></font></div><div style="text-align:left"><font color="#3366FF"><span style="font-size:large"><b><font face="'arial black', sans-serif">ÍõÊ涫</font></b></span></font></div>
<div style="text-align:left"><font color="#FF0000" face="simsun, serif"><span style="font-size:xx-large"><b><br></b></span></font></div><br>
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