[Pw_forum] Error:: lda_plus_u calculation but Hubbard_l not set

Bramha Pandey pandey.bramha at gmail.com
Fri Oct 5 03:35:31 CEST 2012

Dear Developers and Users'
I am trying to calculate the hubbard 'U' value of 'Ga' but following error
was coming. I was searched tabd.f90 in which 'Ga' is included but
i  have not found where is the Hubbard_l is to be set in espresso-5.0.1
version? As if i recalled correctly in privious version there is a
provision for the setting of Hubbard_l parameter for the element but i am
so blind that cannot able to see that file in qe-5.0.1.

Serial version

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...
     Reading input from standard input
               file Ga.pbe-dn-rrkjus.UPF: wavefunction(s)  4S 3D

     Error in routine setup (1):
     lda_plus_u calculation but Hubbard_l not set
 Please help me in this regard. Any comment is appreciable.

Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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