<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hello everyone,<br><br>I am trying to calculate the band structure for In2O3 (Bixbyite structure, Ia-3) using PWSCF.<br><br>I am familiar with the examples for Carbon and Silicon and have run them successfully; however, this one is giving me trouble. I run the self-consistent input first as usual for automatic generation of k-points (4x4x4). Then, I run the .nscf calculation and attempt to sample the high-symmetry bands:<br>H: 0.5, -0.5, 0.5<br>N: 0.25, 0.25, 0.25<br>P: 0, 0, 0.5<br><br>However, I run into the error:<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 0<br> from d_&_i : error # 1<br> some nodes have no k-points<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>After extensive searching and manipulation of how the k-points are sampled, I cannot determine what is going wrong.<br><br>Any advice, links, or suggestions would be greatly appreciated. Thanks in advance.<br><br>Alexander Adler<div><div>Department of Materials Science<br><div>Northwestern University<font class="Apple-style-span" color="#144FAE"><span class="Apple-style-span" style="text-decoration: underline;"><br></span></font></div><div><a href="mailto:materialsman@gmail.com">materialsman@gmail.com</a></div></div></div></body></html>