1 2! Test of libxc (http://www.tddft.org/programs/octopus/wiki/index.php/Libxc). 3! The library must be downloaded and compiled separately. Follow the 4! instructions in the Elk manual for installation of libxc. 5 6tasks 7 0 8 9! libxc is selected with xctype(1)=100. The remaining two numbers are the 10! exchange and correlation functionals, respectively - in this case Slater 11! exchange and Perdew-Wang correlation. Refer to the file 12! 'elk/src/libxc_funcs.f90' for the complete list of functionals and 13! associated numbers. 14 15xctype 16 100 1 13 17 18avec 19 1.0 1.0 0.0 20 1.0 0.0 1.0 21 0.0 1.0 1.0 22 23scale 24 3.8267 25 26! this is the relative path to the species files 27sppath 28 '../../../species/' 29 30atoms 31 1 : nspecies 32 'Al.in' : spfname 33 1 : natoms; atposl below 34 0.0 0.0 0.0 35 36ngridk 37 4 4 4 38 39vkloff 40 0.5 0.5 0.5 41