ndtset 2 ecut 5 kptopt1 1 tolvrs1 1.0D-18 prtwf1 1 kptopt2 3 tolwfr2 1.0D-20 iscf2 -3 rfelfd2 2 rfdir2 1 0 0 nqpt2 1 qpt2 3*0 getwfk2 1 prtden 0 prteig 0 nstep 50 acell 3*5.43 angstrom rprim 0 1/2 1/2 1/2 0 1/2 1/2 1/2 0 occopt 1 nband 4 ngkpt 2 2 2 nshiftk 4 shiftk 3*1/2 1/2 0 0 0 1/2 0 0 0 1/2 # znucl 14 ntypat 1 typat 2*1 natom 2 xred 3*0 3*1/4 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/14si.pspnc" #%% #%% [setup] #%% executable = abinit #%% test_chain = t81.in, t82.in, t83.in, t84.in #%% [shell] #%% post_commands = #%% ww_cp t81o_DS1_WFK t82i_WFK; #%% ww_cp t81o_DS2_1WF7 t82i_1WF7 #%% [files] #%% files_to_test = #%% t81.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -medium #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = NC, DFPT, DDK #%% description = #%% Compute silicon GS and DDK files, in preparation for reading in next test using irdwfk and irdddk. #%%