Dear PWSCF Users, I am generating a pseudo potential for Yb. I kept getting the following message in the output file, even though I made several changes in the rcut values.
warning: wfc 4 3 not converged warning: wfc 4 3 not converged warning: wfc 5 2 not converged warning: wfc 4 3 no turning point warning: wfc 5 2 no turning point The calculation is still finished, but I am not sure this warning means something would not be correct in the calculation results. For example, it predicts the Ecut for wfc 4f of 793Ry. I can increase rcut for this wfc 4f to make this suggested Ecut value decrease, but it will become very soft. Thank you very much, Trinh Vo JPL/CalTech -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100830/ac3a49d7/attachment.htm
