[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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