LIBXC1 Pn
LIBXC1_Pn = [real]
Description: LIBXC1_Pn and LIBXC2_Pn, where n=1, 2, ... allow to specify the values of the parameters in functionals implemented in Libxc called with LIBXC1 and LIBXC2, respectively.
For many functionals implemented in Libxc it is possible to specify parameters if one does not want to use the default ones. If a functional from Libxc has parameters that can be modified, then they are listed below "Parameters of Libxc functionals:" as Pn (n=1, 2, ...) in OUTCAR.
An example is given below for the GGA PBE [1] functional.
- PBE
GGA = LIBXC LIBXC1 = 101 LIBXC2 = 130 LIBXC1_Pn = 0.12345679 LIBXC1_Pn = 0.046