Dear Prof. Paulatto, Thank you so much for the suggestion and I will definitely check with conv_thr to 1.d-12 and tr2_ph to 1.d-18. I have used the experimental lattice parameters and atomic positions initially. The scf file (after the relaxation and convergence test) is attached here.
Thank you! -- With regards Anupriya Nyayban Ph.D. Scholar Department of Physics NIT Silchar
rbpbi3_phon_scf.in
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