# Potassium chloride KCl underconverged for fast testing. acell 3*11.89 diemac 1.0d0 diemix 0.333333333333d0 ecut 10 enunit 2 intxc 1 kptopt 0 kpt 1 1 1 1 2 2 kptnrm 4 natom 2 nband 7 nkpt 2 nline 2 nstep 20 nsym 24 ntypat 2 occ 7*2.0d0 0.0d0 0.0d0 0.0d0 0.0d0 0.0d0 occopt 0 prtvol 10 rprim 0 .5 .5 .5 0 .5 .5 .5 0 symrel 1 0 0 0 1 0 0 0 1 0 1 -1 1 0 -1 0 0 -1 0 -1 1 0 -1 0 1 -1 0 -1 0 0 -1 0 1 -1 1 0 0 1 0 0 0 1 1 0 0 1 0 -1 0 0 -1 0 1 -1 0 -1 0 1 -1 0 0 -1 1 -1 0 1 -1 1 0 -1 0 0 0 0 1 1 0 0 0 1 0 0 0 -1 0 1 -1 1 0 -1 1 -1 0 0 -1 1 0 -1 0 -1 1 0 -1 0 0 -1 0 1 1 0 -1 0 1 -1 0 0 -1 0 1 0 1 0 0 0 0 1 -1 0 1 -1 0 0 -1 1 0 0 -1 0 0 -1 1 1 -1 0 -1 1 0 -1 0 1 -1 0 0 1 -1 0 0 -1 0 0 -1 1 0 0 -1 1 0 -1 0 1 -1 0 0 1 0 1 0 1 0 0 0 -1 1 1 -1 0 0 -1 0 -1 0 0 -1 1 0 -1 0 1 1 0 0 0 0 1 0 1 0 0 1 -1 0 0 -1 1 0 -1 timopt -1 tnons 72*0.0 tolwfr 1.0d-15 typat 1 2 wtk 1 3 xred 3*0.00d0 3*0.50d0 znucl 19 17 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/19k.pspnc, PseudosTM_pwteter/17cl.pspnc" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t24.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = Test an ionic system: KCl. 2 sp k-points. #%%