[Pw_forum] wannier function

wumindt2 wumindt2 at zju.edu.cn
Tue Jan 4 06:56:55 CET 2011


Dear All,

I met an error when calculate the wannier function with wannier90.x.

The error is 
"
 Wannier90: Execution started on 29Dec2010 at 10:22:40
 Exiting.......
 param_get_projection: Problem reading m state into string
"
What's the meaning of this error?
Below is part of my wannier input:
"num_bands        =   600
 
num_iter         =  100
dis_num_iter     =  100
 
iprint           =    2
num_dump_cycles  =   10
num_print_cycles =   10
  
!! (1) Valence bands
  num_wann        =   3
  dis_froz_min    =  17.14  
 dis_froz_max    =   18.14  
  dis_win_min     =  16.95  
 dis_win_max     =   18.95  
!! !! Bond-centred s-orbitals
   begin projections
   f=0.2985,0.2985,0.4375:p,
   f=0.2985,0.2985,0.5625:p,
   f=0.4235,0.4235,0.5000:p,
 end projections  
  
begin unit_cell_cart
 ang    
 8.3544   0.00  0.00
 0.00   8.3544  0.00
 0.00   0.00    10.6604
end unit_cell_cart
"

Happy New Year!

Min Wu
2010-1-3
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