EPW Forum

Dear users and experts I am following the instructions to reproduce the results of Pb given in the tutorial (Tutorial Tue.5) workshop of 2021. While running the ewp.x code for wannier interpolation of electronic and phonon bands, the code does not generate the band.eig and phband.freq files. I am no...

Dear Dr. Samuel Ponc Thank you for your kind reply. The problem about the projections is solved now. However, now the error changes to the following one. kmesh_get_bvector: Not enough bvectors found Error: examine the output/error file for details Kindly, help to solve this problem. For your conveni...

Hi I am trying to calculate the conductivity of a 2D phosphorene (4 atoms in the unit cell). In the epw1.in file, I have defined the projection keyword as Proj(1) = `P:s;p` But when I run the epw.x code, I am getting the following error param_get_projection: too many projections defined Error: exami...

Dear Samuel Ponc

It is really useful. Thank you for your help.





Dr Showkat Mir
Postdoctoral Fellow
Department of Chemical Engineering
IIT Kanpur, India-208016.

It is really helpful. Thanks a lot.


Showkat H Mir
Postdoctoral fellow
Department of Chemical Engineering
IIT Kanpur, India-208016.

Thank you for your quick reply.


best regards
Showkat

Dear Roxana Thank you very much. I can generate the k-point mesh using kmesh.pl script, but what about the weight. The script does not generate the weight on the 4th column. Will the EPW code work without specifying the weight of k-points in nscf calculation. Any help in this regard will be apprecia...

Dear Ponce I am interested to calculate the charge carrier mobility of 2D system. I have seen your code in the tutorial "Resistivity and mobility with EPW " to generate a k-point mesh for bulk systems for nscf calculation. Could you please help me how to generate a k-point mesh for 2D syst...

Hi I want to calculate the carrier mobility of my system. The scf, phonon and nscf calculations finished normally. Now, when, I am running the epw.x code, I am getting the error as given below. Kindly, suggest, how can I fix this issue with epw.x G-vector sticks info -------------------- sticks: den...

Hi,
Thank you.
I have one more query. Uually, 1 k-point is taken along the z-direction (along which a large vacuum is created).
Will 1-point suffice or we need to increase it.