[Wannier] [Fwd: regarding wannier calculation]

[himanshu at iopb.res.in]

---------------------------- Original Message ----------------------------
Subject: regarding wannier calculation
From:    himanshu at iopb.res.in
Date:    Wed, April 9, 2014 5:56 pm
To:      wannier-request at quantum-espresso.org
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respected wannier users,
                         when i am execute pw2wannier90.x in parallel
mode. it doest not work .

after that i tried to run in serial format . I am getting following error
in output file

 MP grid is   9 x 10 x  4
  - Number of atoms is (  8)
  - Number of wannier functions is (  0)

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine setup_nnkp (1):
      something wrong with num_bands
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

although i provide num_bands= 100( exactly equal to nscf calculation)

      requesting for some useful suggestion to solve this problem

         thanks in advance
Himanshu
I.O.P