Dear pwscf users,<br><br> I need to do phonon calculation for large system (several hundreds atoms per cell). Since i can use lots of processors, I plan to submit many jobs, each of which will calculate 1 phonon mode. But i do not know whether it is available to get final dynamic matrix from these separate runs and how to do it. Can any one help me? <br>
<br> Currently, phonon modes are calculated one by one in sequence in phonon calculation. Can we do some parallelization here? Can we divide the processors into several groups and let each group take care of one or more modes in a way similar to K-points parallelization? I think that the parallel efficeincy for modes parallelization should also be close to K-points parallelization since the phonon modes calculation is independent of each other. The modes parallelization should be very useful for system with large numbers of atoms. Does anyone have the idea how hard it is to do the modes parallelization? <br>
<br>Thanks <br><br>Zhongqing <br><br>CACS University of Southern California <br><br>
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