[QE-users] Inquiry Regarding the atomic displacement in Phonon Calculation

2024-03-28 Thread zhouchao via users
Dear QE Community, I hope this message finds you well. First and foremost, I want to express my gratitude for the assistance and guidance you have provided in the QE community, which has been immensely beneficial to me. I have a long-standing question that I hope you can help me with. In

[QE-users] Difference between data file saved inside outdir

2024-03-28 Thread Abdul Muhaymin via users
Hello all, After a spin-polarized scf calculation, I have several files such as wfcup#.hdf5, wfcdw#hdf5 etc inĀ in outdir/prefix.save. The number of the files are equal to the 2*number of k points. However, after nscf calculation, I am getting more data files in the outdir (not in