ndtset 3 kptopt1 1 tolvrs1 1.0D-20 nqpt1 0 prtwf1 1 getwfk1 0 rfddk2 1 iscf2 -3 rfelfd3 2 iscf3 -3 kptopt 3 nqpt 1 qpt 3*0 tolwfr 1.0D-20 getwfk 1 rfdir 1 0 0 prtwf 0 prtden 0 prteig 0 ecut 5 pawecutdg 20 nband 4 nstep 5 ngkpt 2 2 2 nshiftk 4 shiftk 3*1/2 1/2 0 0 0 1/2 0 0 0 1/2 acell 3*5.43 angstrom rprim 0.0 0.5 0.5 0.5 0.0 0.5 0.5 0.5 0.0 znucl 14 ntypat 1 typat 1 1 occopt 1 natom 2 xred 3*0 3*1/4 diemac 12.0 pp_dirpath "$ABI_PSPDIR" pseudos "si_ps.736.lda" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t30.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -easy #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = J. Zwanziger #%% keywords = PAW, DFPT, DDK #%% description = #%% Compute DDK response in PAW formalism for two different but equivalent input #%% variables: rfddk 1, rfelfd 2 #%% topics = DFPT #%%