# Si in diamond structure acell 3*10.22 rprim 0 .5 .5 .5 0 .5 .5 .5 0 natom 2 ntypat 1 typat 2*1 xred 0.125 0.125 0.125 0.875 0.875 0.875 znucl 14.0 ecut 3 pawecutdg 6 enunit 2 ngkpt 2 2 2 nshiftk 4 shiftk 0.5 0.5 0.5 0.5 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.5 occopt 1 nstep 5 ndtset 6 udtset 3 2 ixc?1 2 ixc?2 -001009 intxc 0 kptopt1? 1 tolvrs1? 1.0d-10 kptopt2? 2 iscf2? -3 nqpt2? 1 qpt2? 0.0 0.0 0.0 rfelfd2? 2 rfdir2? 1 1 1 tolwfr2? 1.0d-22 getwfk2? 11 kptopt3? 2 nqpt3? 1 qpt3? 0.0 0.0 0.0 rfphon3? 1 rfatpol3? 1 1 rfdir3? 1 0 0 tolvrs3? 1.0d-10 getwfk3? 11 getddk3? 21 pp_dirpath "$ABI_PSPDIR" pseudos "Si-LDA.paw" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t82.out, tolnlines = 56, tolabs = 1.0001e-03, tolrel = 1.1e-02, fld_options = -easy #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% authors = G.-M. Rignanese #%% keywords = PAW, DFPT #%% description = #%% Silicon #%% Test the equivalence between the internal and LibXC implementations #%% of the Perdew-Zunger XC functionals for the response functions #%% (thus, the XC kernel is also tested) in PAW. #%%