[Pw_forum] Problem With WC Pseudopotentials in "Relax" Process

[Mojtaba Mirseraji]

Dear All

I am using WC pseudopotentials (THEOS, PSLibrary) for relaxing BaTiO3.
These potentials are so good for cubic structure but when I use it for
tetragonal structure of barium titanate with some errors !!!!!
such as "not converged eigenvalues" , "S matrix not positive definite"
, "fail to eigenvectors" and .....!!!!!!!

I only changed force_conv_thr and etot_cov_thr=1.D-2 are without error !!!!

I do not know how to do !!!
PLEASE, help me

Thanks in advance

Mojtaba Mirseraji
Ph.D. Candidate
Theoretical Condensed Matter Physics
Arak Univ.
I.R.IRAN