[Wannier] Fwd: Problem getting projections and .mmn file

[sudipta]

---------- Forwarded message ----------
From: sudipta <sudiptakoley20 at gmail.com>
Date: Wed, Aug 3, 2016 at 12:46 PM
Subject: Problem getting projections and .mmn file
To: wannier at quantum-espresso.org


Dear all,
I am new to quantum espresso with wannier.
I have installed the program and then run all the example. Now I want to
calculate MLWF for FeO for that I have given the input as

# Wannier90 to get nnkp
cat > feo.win << EOF
#num_bands     = 20
num_wann        =  11
num_iter        = 20
wannier_plot    = true

wannier_plot_supercell =3
#bands_plot = true
begin kpoint_path
L 0.5 0.5 0.5 G 0.0 0.0 0.0
G 0.0 0.0 0.0 X 0.5 0.0 0.5
end kpoint_path

begin atoms_frac
 O1  0.25 0.25 0.25
 O1  0.75 0.75 0.75
 Fe1 0.0  0.0  0.0
 Fe2 0.5  0.5  0.5
end atoms_frac

begin projections
Fe1: d
O1: p
end projections

#use_bloch_phases : T

#begin unit_cell_cart
#-1.613990   0.000000   1.613990
# 0.000000   1.613990   1.613990
#-1.613990   1.613990   0.000000
#end unit_cell_cart

begin unit_cell_cart
bohr
-3.05   0.00   3.050
 0.00   3.05   3.050
-3.050   3.050   0.000
end_unit_cell_cart

mp_grid : 4 4 4

begin kpoints
0.0000  0.0000   0.0000
0.0000  0.2500   0.0000
0.0000  0.5000   0.0000
0.0000  0.7500   0.0000
0.2500  0.0000   0.0000
0.2500  0.2500   0.0000
0.2500  0.5000   0.0000
0.2500  0.7500   0.0000
0.5000  0.0000   0.0000
0.5000  0.2500   0.0000
0.5000  0.5000   0.0000
0.5000  0.7500   0.0000
0.7500  0.0000   0.0000
0.7500  0.2500   0.0000
0.7500  0.5000   0.0000
0.7500  0.7500   0.0000
0.0000  0.0000   0.2500
0.0000  0.2500   0.2500
0.0000  0.5000   0.2500
0.0000  0.7500   0.2500
0.2500  0.0000   0.2500
0.2500  0.2500   0.2500
0.2500  0.5000   0.2500
0.2500  0.7500   0.2500
0.5000  0.0000   0.2500
0.5000  0.2500   0.2500
0.5000  0.5000   0.2500
0.5000  0.7500   0.2500
0.7500  0.0000   0.2500
0.7500  0.2500   0.2500
0.7500  0.5000   0.2500
0.7500  0.7500   0.2500
0.0000  0.0000   0.5000
0.0000  0.2500   0.5000
0.0000  0.5000   0.5000
0.0000  0.7500   0.5000
0.2500  0.0000   0.5000
0.2500  0.2500   0.5000
0.2500  0.5000   0.5000
0.2500  0.7500   0.5000
0.5000  0.0000   0.5000
0.5000  0.2500   0.5000
0.5000  0.5000   0.5000
0.5000  0.7500   0.5000
0.7500  0.0000   0.5000
0.7500  0.2500   0.5000
0.7500  0.5000   0.5000
0.7500  0.7500   0.5000
0.0000  0.0000   0.7500
0.0000  0.2500   0.7500
0.0000  0.5000   0.7500
0.0000  0.7500   0.7500
0.2500  0.0000   0.7500
0.2500  0.2500   0.7500
0.2500  0.5000   0.7500
0.2500  0.7500   0.7500
0.5000  0.0000   0.7500
0.5000  0.2500   0.7500
0.5000  0.5000   0.7500
0.5000  0.7500   0.7500
0.7500  0.0000   0.7500
0.7500  0.2500   0.7500
0.7500  0.5000   0.7500
0.7500  0.7500   0.7500
end kpoints

but it is showing following error:
 running wannier90 -pp for feo... done
  running pw2wannier90 in stand-alone mode for
feo...--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
 done
  running wannier90 for feo... Error: Problem opening input file feo.sa.mmn
Error: examine the output/error file for details
 done


Please help.

-- 
Sudipta koley
Department of Physics
IIT KHARAGPUR



-- 
Sudipta koley
Department of Physics
IIT KHARAGPUR
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