[Pw_forum] Pw_forum] negative value of polarization and Z* for Pb in Tetragonal PbTiO3 and discrepancy

[sathya subramanyan]

  Dear Dr.Prasenjit,
                 Thank you so very much for your detailed reply and  advice.Using your advice I performed the convergence tests and I think it has worked. I will use the converged values and check for further calculations and let you know about the results.Thank you once again as this has helped me to proceed in my work
Regards


SATHYA SHEELA.S
Grad. Student
Department of Physics 
National Institute of Technology
Tiruchirapalli - 620015 
India
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