[Pw_forum] WAN90_example failed in library mode

[Nicola Marzari]

Dear Lionghua,

please post this to the wannier mailing list, rather than pwscf. Also,
great to have your name and affiliation in the mail. Thanks!

			nicola


On 8/12/11 7:21 AM, lilonghua wrote:
> Dear all,
> The "WAN90_example" is ok in test "stand-alone" mode, but failed in
> "library mode". Error message is :
> "
> Wannier mode is: library
> Setting up...
> MP grid is 4 x 4 x 4
> - Number of atoms is ( 2)
> - Number of wannier functions is ( 0)
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from setup_nnkp : error # 1
> wrong excluded band index
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from setup_nnkp : error # 1
> ..."
> I am sure I have compiled pw2wannier90.x with -D__WANLIB and libwannier.a.
> How can I solve this proplem?
> 2011-08-12
> ------------------------------------------------------------------------
> lilonghua


-- 
----------------------------------------------------------------------
Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM