[Pw_forum] (no subject)

2017-10-23 Thread Nayana Devaraj 
Respected QE Users,

How to choose kpoints for a  hexagonal structure while using wannier
transport (wanT)? I have done with k points obtained using kmesh.pl
utility. But the band structure thus obtained is different from the actual
band structure. Using quantum espresso I have got a good band diagrom.
There I selected k points using Xcrysden. But if I use the same k points in
wanT it's showing error.

-- 


*Regards,*
*Nayana Devaraj*
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[Pw_forum] (no subject)

2017-10-08 Thread Nayana Devaraj 
Dear QE users,
  How to choose k points of a hexagonal structure for wannier transport
calculation?
It is showing error when i use k points generated using utilities like
kmesh.pl , kgrid and kpoints.x .
-- 
*Nayana Devaraj*
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[Pw_forum] Fwd: wannier center from midpoint.out

2017-10-07 Thread Nayana Devaraj 
-- Forwarded message --
From: Nayana Devaraj <nayanadeva...@gmail.com>
Date: Fri, Oct 6, 2017 at 11:55 AM
Subject: wannier center from midpoint.out
To: pw_forum@pwscf.org



how to obtain wannier centers from the output file generated using
midpoint.x ?
-- 
*Nayana Devaraj*



-- 
*Nayana Devaraj*
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[Pw_forum] wannier center from midpoint.out

2017-10-06 Thread Nayana Devaraj 
how to obtain wannier centers from the output file generated using
midpoint.x ?
-- 
*Nayana Devaraj*
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