[Pw_forum] How to choose acoustic-sum-rule?

[liyincumt at gmail.com]

Dear Lorenzo and Stefano,

Thanks for your interested in my question!

My system is a crystal that in one unit cell there are two molecules. 
I have set tight convergence criterion like etot_conv_thr=1.0d-5; forc_conv_thr=5.0d-6;conv_thr = 1.0D-10 and tr2_ph=1.0d-16. Both of pw.x job and ph.x job were done successfully. I think my system was fully relaxed.

Best Regards,
Yin


Dr. Yin Li 
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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