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Hello all,<div><br></div><div>i am doing a phonon calculation for a system of 60 carbon atoms. I have two small questions:</div><div><br></div><div>(1) what is the safe value that I can set to tr2_ph and get good results? I am doing the calculations for a tr2_ph=1.0D-10 but it is taking a long timee and I have got like 180 modes of irreducible representations.</div><div><br></div><div>(2) I am doing phonon calculations at special points (Gamma, M, X) separately. Is there a way to collect these to get the phonon band dispersion later?</div><div><br></div><div><br></div><div>Thanks</div><div><br></div><div>Elie Mouaes</div><div>university of Nottingham</div><div>Nottingham</div><div>NG7 2RD</div> </div></body>
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