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! Test of the Libxc library. Follow the instructions in the Elk manual for the
! installation of libxc.
tasks
0
! Libxc is selected with xctype(1)=100. The remaining two numbers are the
! exchange and correlation functionals, respectively - in this case Slater
! exchange and Perdew-Wang correlation. Refer to the file 'elk/src/libxcf03.f90'
! for the complete list of functionals and associated numbers.
xctype
100 1 13
avec
1.0 1.0 0.0
1.0 0.0 1.0
0.0 1.0 1.0
scale
3.8267
! this is the relative path to the species files
sppath
'../../../species/'
atoms
1 : nspecies
'Al.in' : spfname
1 : natoms; atposl below
0.0 0.0 0.0
ngridk
4 4 4
vkloff
0.5 0.5 0.5
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