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<div>Dear developers,</div><div> This seems like a bug. For ibrav=4, if I set k path for example as below</div><div> </div><div>K_POINTS tpiba_b</div><div>4</div><div>gG 6 </div><div>A 6 </div><div>H 6 </div><div>L 6 </div><div><br></div><div> the output of bands.x is like this</div><div><br></div><div><div>high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.0000</div><div> high-symmetry point: 0.0000 0.0000 0.0872 x coordinate 0.0872</div><div> high-symmetry point: 0.6667 0.0000 0.0872 x coordinate 0.0872</div><div> high-symmetry point: 0.5000 0.2887 0.0872 x coordinate 0.4205</div></div><div><br></div><div>and the bands.dat.gnu</div><div><br></div><div><div> 0.0000 -61.4506</div><div> 0.0145 -61.4506</div><div> 0.0291 -61.4506</div><div> 0.0436 -61.4506</div><div> 0.0581 -61.4506</div><div> 0.0726 -61.4506</div><div> 0.0872 -61.4506</div><div> 0.0872 -61.4475</div><div> 0.0872 -61.4390</div><div> 0.0872 -61.4282</div><div> 0.0872 -61.4183</div><div> 0.0872 -61.4121</div><div> 0.0872 -61.4102</div><div> 0.1427 -61.4105</div><div> 0.1983 -61.4114</div><div> 0.2538 -61.4126</div><div> 0.3094 -61.4136</div><div> 0.3650 -61.4144</div><div> 0.4205 -61.4147</div></div><div>....</div><div><br></div><div>It seems that bands.x deals A equals H. How to fix it?</div><div><br></div><div>best regards</div><div id="ntes-pcmail-signature" style="font-family:'微软雅黑'"><font style="padding: 0; margin:0;"> </font>
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