EPW Forum

It sounds to me like ../phonons/save does not exist, in which case you need to run the pp.py script included with EPW in the phonons directory (found at ~/qe-7.1/EPW/pp.py, also found in the EPW/examples/diamond/phonons folder). This organizes all the files from _ph0 into the save folder which EPW r...

Forgot to mention that I'm only doing elph+a2F calculations with auto_projections from SCDM. Please find input files attached. Adam ######SCF####### &CONTROL calculation = 'scf', etot_conv_thr = 0.0001, forc_conv_thr = 0.001, prefix = 'nb', pseudo_dir = '../pseudo/', tprnfor = .TRUE., tstress = .TRU...

Hi all, I'm currently doing quite a bit of work with EPW on TACC Frontera and was hoping for insight into how the code scales with cores. Currently I'm using ~20 nodes (1120 cores) to do a calculation on Nb and I'm getting very poor CPU usage from the SLURM report and was wondering if maybe I compil...