[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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