[QE-users] [SPAM] Error at calculation neb.x with DFT+U

[Кайрат Курмангалеев]

Developers, good day!
 
I have some problem with calculation, when I try to run neb.x witn DFT+U. I attach input file.
Could you help me?
 
otput : 
 
    Parsing file: neb.in
     Reading input from pw_1.in
     file In.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s)  5S 5P 4D renormalized
     file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s)  2S 2P renormalized
     Reading input from pw_2.in
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine card_hubbard (2):
     two occurrences
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 
     stopping ...
 
 
 
 
 
Yours sincerely,
Kairat Kurmangaleev
researcher 
Semenov Institute of Chemical Physics
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