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> Band Structure Calculation<br>
Davidson diagonalization with overlap<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br>
c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br>
c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br> c_bands: 1 eigenvalues not converged<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from davcio : error # 10<br> error while reading from file<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> <br> stopping ...<br><br>What's the probably problem?How can i do?<br>
Thanks<br>-- <br>Best Wishes<br>ChenWeiguang<br>