<!DOCTYPE html><html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8" /></head><body>Hello,<div><br></div><div>During relax procedure I am getting a warning message: "WARNING: bfgs curvature condition failed, Theta= 0.932". I think it is related with quasi-newton BFGS algorithm. </div><div><br></div><div>Is it affect the equilibrium positions of ions and the electronic charge distribution or phonon movements etc. etc.? Is there any way to solve this warning if it is harmful? </div><div><br></div><div>I am using svn version of Quantum-ESPRESSO with latest commits. <br></div><div><br></div><div>With my best wishes,</div><div><br></div><div> Mutlu.</div><div><br><div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">------------------------------------------</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Mutlu ÇOLAKOĞULLARI</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Trakya Universitesi </div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Fen Fakultesi</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">Fizik Bolumu</div><div class="crea-font-wrapper" style="font-family: Tahoma; font-size: 16px;">22030 Merkez-EDİRNE</div></div></div></body></html>