[QE-users] On the use of the modified Becke-Johnson (TB09) functional

Priyanka A J, Res. Associate, Dept. of Physics, IIT (BHU) priyanka.rs.phy15 at itbhu.ac.in
Fri Sep 1 14:44:48 CEST 2023


Dear Sir
I am using Quantum espresso 7.2 version. When I tried TB09 functional, it
showed the error libxc not found. Kindly tell me the steps to install libxc
in 7.2 version and how to do the calculation using TB09 functional.
Thanks and regards
Priyanka
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