Hi,<br>I am a pwscf newbie, i want to get a band structure. Firstly, i have done the scf calculation,and it can be converged well, but the next step band calculation, the following information show:<br>&nbsp;&nbsp;&nbsp;&nbsp; Band Structure Calculation<br>
&nbsp;&nbsp;&nbsp;&nbsp; Davidson diagonalization with overlap<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>
&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>
&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>&nbsp;&nbsp;&nbsp;&nbsp; c_bands:&nbsp; 1 eigenvalues not converged<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
&nbsp;&nbsp;&nbsp;&nbsp; from davcio : error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 10<br>&nbsp;&nbsp;&nbsp;&nbsp; error while reading from file<br>&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>&nbsp;<br>&nbsp;&nbsp;&nbsp;&nbsp; stopping ...<br><br>What&#39;s the probably problem?How can i do?<br>
Thanks<br>-- <br>Best Wishes<br>ChenWeiguang<br>