[Pw_forum] LDA+U PDOS

[FARAH MARSUSI]

Dear Users,

After successful calculations of scf and nscf procedures for graphene within DFT+U, QE complains when applying projwfc.x utility to calculate PDOS:  
"Error in routine set_hubbard_l (1): pseudopotential not yet inserted"
Perhaps d-orbitals like symmetries for C hybridization be the problem, while l was set to 1. 
Would be very grateful for any help to solve it.


Best regards,
F. Marsusi,

Department of Physics,
Amirkabir University of Technology.​
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