Hello,
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.
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?
I am using svn version of Quantum-ESPRESSO with latest commits.
With my best wishes,
Mutlu.
------------------------------------------Mutlu ÇOLAKOĞULLARITrakya
Universitesi Fen FakultesiFizik Bolumu22030 Merkez-EDİRNE
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