EPW Forum

Dear developers, I want to extract Phonon dispersion of 2D materials and to obtain a good plot I think I should increase k and q grids to as high as possible. When I increase the kgrid(in nscf file and then in EPW) up to 26*26*1 and the q grid(in ph file and then in EPW) up to 13*13*1, it can be run ...

Dear developers, I have downloaded the new version of qe from the links: m m and I faced with these errors during make of epw on CentOS: Fatal Error: Can't find an intrinsic module named 'ieee_arithmetic' at (1) make[2]: *** [superconductivity.o] Error 1 make[2]: Leaving directory `/home/mxk180036 ...

Dear all, I need deformation potential values for every phonon branch in high symmetry points. I was wondering if there is any possible way to calculate it. I have seen in the Phonon user guide that the ph.x can calculate it but I couldn't find them in output files. Also in "Elec-?ph. and ph.-?ph ...