EPW Forum

Dear Carla Many thanks for your reply. I understand that requirement for "wannierization" and I can use a uniform positive grid in nscf.in by (instead of K_POINTS automatic) K_POINTS crystal nk k1x k1y k1z ... However my question is whether it is possible to do the same in epw.in instead of using ...

Dear All, I have a following question Is there a way to specify coarse k-point mesh (the one one used in nscf run) explicitly in epw.in instead of using nk1 nk2 nk3 ? Otherwise if one uses nk1 nk2 nk3 for nscf.in one might end up with negative values in kx, ky, kz for specific examples, which is not ...

Dear Samuel, dear All I am trying to run epw.x on 64 processors Same number of processors was used for scf, nscf, phonons calculations with Nkpoints = 32 The program exits with Error in routine setphases_wrap(1): only one proc per pool I receive the same error, when I am trying to run on 32 proc ...