EPW Forum

Dear Dr. Samuel, Thank you very much for your reply! I have checked the NaN problem for MgB2 with etf_mem=.false.. I found if the parameter "outdir" is the current directory, the results is right without NaN in the output file. If one sets outdir to other directory, the NaN problem in outp...

Dear all, Due to limited memory in calculating my compound, I set etf_mem to .false.. But I got "NaN" for all q points in the output file of EPW. For example: ismear = 10 iq = 4095 coord.: 0.93750 0.93750 0.87500 wt: 0.00024 -----------------------------------------------------------------...

Dear Dr. Samuel, Thank you very much for your quick response! You are right, the electron fine grid should not affect the MLWFs. I just want to use different electron fine grid to check the convergence of lambda. As you said, the random projection method is not robust. The same input parameters coul...

Dear all, I am interested in calculating electron-phonon coupling (EPC) with EPW 4. Currently, I have a question about EPC calculation with wannierize=.false.. As mentioned in m, the simple solution to determine MLWFs is proj(1)='random'. In order to do convergence test, I designed two runs with dif...