[Wannier] wannier_ham.x :setting up the input file

[Poonam Kaushik]

i want to set the parameter for an input file of wannier _hamilt.in. I am
trying this for spin polarised NiO, i want to create nwan=16. I checked out
the example in quantum espresso, but there is nothing mention regarding
spin and also in on this QE forum, i am confused about how I proceed
further. the previous msg that i checked out

*&inputpp
*>*  prefix='NiO'
*>*  outdir='/home/riping/tmp/'
*>*  nwan = 8
*>*  form = amulet
*>* /
*>* WANNIER_AC
*>*  Wannier# 1 2 9
*>*  atom 1
*>*  d 1 1.0
*>*  Wannier# 2 2 9
*>*  atom 1
*>*  d 2 1.0
*>*  Wannier# 3 2 9
*>*  atom 1
*>*  d 3 1.0
*>*  Wannier# 4 2 9
*>*  atom 1
*>*  d 4 1.0
*>*  Wannier# 5 2 9
*>*  atom 1
*>*  d 5 1.0
*>*  Wannier# 6 2 9
*>*  atom 2
*>*  p 1 1.0
*>*  Wannier# 7 2 9
*>*  atom 2
*>*  p 2 1.0
*>*  Wannier# 8 2 9
*>*  atom 2
*>*  p 3 1.0
*>* /
*>>>>* wannier.in2
*>>>* &inputpp
*>*  prefix='NiO'
*>*  outdir='outdir'
*>*  nwan = 13
*>*  form = amulet
*>* /
*>* WANNIER_AC
*>*  Wannier# 1 1 13
*>*  atom 1
*>*  s 1 1.0
*>*  Wannier# 2 1 13
*>*  atom 1
*>*  p 1 1.0
*>*  Wannier# 3 1 13
*>*  atom 1
*>*  p 2 1.0
*>*  Wannier# 4 1 13
*>*  atom 1
*>*  p 3 1.0
*>*  Wannier# 5 1 13
*>*  atom 1
*>*  d 1 1.0
*>*  Wannier# 6 1 13
*>*  atom 1
*>*  d 2 1.0
*>*  Wannier# 7 1 13
*>*  atom 1
*>*  d 3 1.0
*>*  Wannier# 8 1 13
*>*  atom 1
*>*  d 4 1.0
*>*  Wannier# 9 1 13
*>*  atom 1
*>*  d 5 1.0
*>*  Wannier# 10 1 13
*>*  atom 2
*>*  s 1 1.0
*>*  Wannier# 11 1 13
*>*  atom 2
*>*  p 1 1.0
*>*  Wannier# 12 1 13
*>*  atom 2
*>*  p 2 1.0
*>*  Wannier# 13 1 13
*>*  atom 2
*>*  p 3 1.0
*>

*i am confused here  how this file i can create in spin polarsied case
from where i start for genrating nwan=16,1to 16 or 2 to 17.i am
attaching my input scf and nscf file as well.If anyone knows something
plse five your useful suggestion.*



-------------------------------------------------------------------------------------------------
Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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