[Wannier] problem in nscf

Assa Aravind assa at igcar.gov.in
Thu Nov 13 08:47:55 CET 2008

Hi all..
I am a new user of WANT
I am trying to do transport calculation of ZnO nanowire and I have taken these 
two potentials from the PWSCF PP list
   Zn.pbe-van.UPF and   O.pbe-van_bm.UPF. The scf calculation has been finished 
successfully, but during nscf calculation , the nscf.out file stops with the 
following error..

    "  Band Structure Calculation
      Davidson diagonalization with overlap
      c_bands:  1 eigenvalues not converged"
and the nscf.err file shows
"Warning: No xauth data; using fake authentication data for X11 forwarding"

can anybody please help me to figure out what is wrong ..I suppose it may a 
problem with the potential.is it correct?
and if so, is anybody having pseudo potentials of same flavour for both Zn and 
thanks in advance
Assa Aravindh

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