[Pw_forum] Plot the density and the wave function of wannier function in cp.x

[Yi Yao]

Hi all,

I am using cp.x(4.3.2) with wannier function.

I can run the simulation with the wannier function. While, when I try to plot the density of wannier functions, problems happened. I set my calwf = 1, nwf = 1 and wffort = 40.
And then add a card at the end
PLOT_WANNIER
1
while, the output tell me
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  printout_base_init  : error #        43
      error in opening unit, check outdir
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Does anyone know what this problem is? Or, can anyone told me how to use the plot wannier function? I appreciate it if someone could show me some example to do that.



Wishes,
Yi
PhD student,
Chemistry Departement, University of North Carolina
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