EPW Forum

Dear Developers,

If you have any suggestions regarding the asked queries. Please tell me.
Some queries are:
how to pick fsthick value
how to make sure convergence with BTE

Thank You

Regards
Sumit Kukreti

Dear Developers, I am trying to calculate the electron and hole mobility in a 2D system. Doing the iterative_bte calculation, I found calculations are not converged even after 1000 iterations and show negative value of mobility tensor like: -0.116797E+04 -0.266909E+04 0.189661E-12 -0.266292E+04 0 ...

Thank You, sir, Yes, with the said correction, the error resolved, but on moving forward, the calculation again stuck with giving one more error; Using uniform q-mesh: 50 50 1 Size of q point mesh for interpolation: 2500 Using uniform MP k-mesh: 50 50 1 Size of k point mesh for interpolation: 468 ...

Dear Developers, I am trying to run EPW on my 2D system. But after doing phonon and all steps, in the epw step error appeared. The error is given below; Calculating kgmap Progress kgmap: ######################################## kmaps : 0.37s CPU 1.15s WALL ( 1 calls) Symmetries of Bravais lattice ...

Dear EPW developers, I just started using EPW with qe 7.0 to compute electron-phonon coupling and hence scattering for 2D materials. For learning, I started with the given mgb2 example in the EPW package. After computing phonon and preparing SAVE folder I ran scf and nscf on epw folder. Then on ...