Hello whomever this may concern,
I am currently using the TB09 and TPSS exchange-correlation for a self-consistency calculation for Strontium Hexaboride (SrB6). We use Libxc for these calculatiosn as well. An important value I would like to find is the self-consistent calculated parameters used for TB09 and TPSS. While there are default values given by xc_infos.x (as stated in the User Guide), they are not the external values calculated by the self-consistency calculations (scf). I would like to know if there is a way to find these external parameters given a self-consistency calculation. Thank you!
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
