[QE-developers] problem in making .eig file in wannier90

Dinesh Yadav yadavdk072 at gmail.com
Tue Apr 28 08:09:00 CEST 2020


Dear QE experts,

     I am using wannier90 via quantum espresso. Since my compound is
hexagonal, I choose k point 9 9 3 in SCF calculation and I chose kmesh 4 4
4 from kmesh.pl tools. After running SCF and nscf calculation I
proceed for wannier
calculation with mp_grid 4 4 4, Post-processing commands runs successfully
and .nnkp file also generated but as I run pw2wannier command no any mmn,
amn and .eig forms which terminate my calculation with this error.


 Wannier mode is: standalone

  -----------------
  *** Reading nnkp
  -----------------

  Checking info from wannier.nnkp file

  - Real lattice is ok
  - Reciprocal lattice is ok
  Something wrong!
  numk=          64  iknum=         256



So please kindly suggest me to eliminate such error in wannier90.


Thank you!!

Sudeep Jnawali

CDP, TU, Nepal
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