EPW Forum

Dear hlee,
Thanks for your reply

Dear all, I am doing EPW calculations for my system Fe2VGa where I am using ultrasoft PP (uspp). I wanted to ask if we can use the USPP generated by different methods together for example, rrkjus and sp-van as I am using sp-van type uspp for Fe and V and rrkjus type uspp for Ga. Best regards Vineet ...

Deal all, I am doing the electron self-energy calculation for Fe2VGa. I am facing an issue when I am running the epw.x calculation, it stops just before it does the electron self energy calculation and gives me segmentation fault error. I am using the new EPW v5.6 and have successfully run the ...

Hi hlee Thanks for your reply, I am using the new EPW v5.6 now. I am doing the electron self energy calculation for Fe2VGa. Now I am facing a new issue, i.e., the epw.x code stops just before it starts the electron self energy calculation and gives segmentation fault error. Following is the epw ...

Dear all, I am doing the EPW calculation for Fe2VGa to calculate the scattering rate. Fe2VGa is a semimetallic system. Generally, the scattering rate for such system s is of the order of 1e-14 sec. However, I am finding the scattering rate very small, i.e., 1e-18 sec. I further looked into the ...

Dear users, I did the EPW calculation for Fe2VGa(semimetal) to calculate the relaxation time of the carriers using the imaginary part of electron self-energy. I am getting the relaxation time very low (~1e-18 sec). The imaginary part of the electron self-energy is of the order of 1e6(meV). I am ...

Dear users,
I do EPW calculation for electron linewidth calculation. Here is my question.
Can we change the path.dat (file of kpoints long which we want the linewidth) file, while it does the electron-phonon matrix element calculation on dense grid?

Dear users, can you tell me about convergence criteria , when we do the different fine qgrid calculation? as you have said earlier, for a polar material you may need 300x300x300 qgrid , which is actually very expensive to be calculated. Actually, I am working on PbI2, where I use qgrid 300x300x20(1 ...

Dear Sir, I want to calculate electron self-energy of the PbI2 2D system, I have been able to generate my wannier band structure which is matching with band structure calculation by PW basis. but when I am doing this EPW calculation, where I am giving exactly same parameter as in the case.win file ...

Dear users, I am getting a weird thing in my epw calculation. When I give uniform fine grid in epw input file to calculate |g|, it is smoothly running, but when I am giving the desired path, it is giving me an error related to the segmentation fault. one more thing, after it runs perfectly where I ...