[QE-users] Error in computing density of states using TB09 meta-GGA

Arini Kar 16i170008 at iitb.ac.in
Wed Feb 8 05:12:03 CET 2023


Dear Quantum Espresso users,

I am unable to generate total density of states after scf calculations 
using TB09 meta-GGA and norm conserving pseudopotential. Dos.x 
calculations crash indicating the following error:

  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      task #        15
      from set_dft_from_name : error #         1
      XC-000-000-000-000: unrecognized dft
  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I do not face this error while using TPSS meta-GGA. I am using Quantum 
Espresso v6.5. I request you to help me resolve the error.

Regards

Arini Kar
PhD student
IIT Bombay, India
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