EPW Forum

Thanks again. I see, I am spliting the dvscf binary filse with the "dd" bash command.
I have one last question, the dvscf files are writen in q space, right?

Sincerely,

Raúl

Dear H. Lee, thanks a lot for your fast answer. I'll try to go through the pp.x code to understand what it does. If I understood correctly, the dvscf files are written in blocks and each block corresponds to one perturbation. That's why I was wondering if is possible to plot the different componente...

Hello,
I am wondering if there is a simple way for plotting the dvscf file corresponding to one of the perturbations in real space. Is it posible?

thanks in advance.
Raúl

Dear H. Lee, I have tried running it with etf_mem=2 and I obtain a similar error but for the file prefix.epmatwe1, that is written in an intermediate step. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine diropn (116): error opening ./Pdsur.epmatwe1 %%%...

Dear H. Lee, Thank you so much for the fast answer. I attach the output of the EPW run (https://drive.google.com/file/d/1tpy5wRxzi9w64ywejgponDRAoVuwRZqU/view?usp=sharing) As I was using iverbosity=1 the output is large. In order to skip writing the prefix.epmatwp file I need to set epwread=true isn...

Hello, I am studying a Pd surface with CO adsorbed on it. I have a total of 20 atoms on my cell and I am including a total of 120 bands in the wannierization. I have evaluated the ep matrix elements and I have been able to interpolate them starting from a 12x12x1 and 1x1x1 coarse k and q grids. I wa...