[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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