[QE-users] Number of kpoints for wannier90 calculation
kagdada hardik
hlkagdada at gmail.com
Tue Feb 18 13:32:23 CET 2020
Dear Users
I have to perform Wannier90 calculations and for that nscf must be run with
the specified kmesh generated from the wannier90/utility/kmesh.pl.
I have generated 100 number of kpoints by setting the 10 10 1 in kmesh.pl
and for that i have started nscf calculation. However, the output of nscf
calculation contains 294 number of kpoints. But for wannier90 calculation,
nscf must be performed at 100 number of kpoints.
Is there any specific method to perform the nscf having the same number of
kpoints in input and output ??? I am working on orthorhombic and hexagonal
structure and i have not employed any spin polarization in the calculation.
I have tried nosym = .true. and further i also visited this forum :
https://lists.quantum-espresso.org/pipermail/users/2016-June/035493.html
still the problem is not solved
Any suggestions regarding this will be highly appreciated
Thank You
Hardik L Kagdada
Ph.D. Scholar
Physics Department
Institute of Infrastructure Technology Research and Management
Ahmedabad, Gujarat, INDIA
ORCID ID: https://orcid.org/0000-0002-8584-6683
Google Scholar: https://scholar.google.com/citations?user=zkez1GAAAAAJ&hl=en
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