# Si in diamond structure; 2 special points. Bond centered. ndtset 2 jdtset 2 57 acell2 3*10.20 ecut2 6 acell57 3*10.25 ecut57 5 diemac 12.0 enunit 2 intxc 1 istatr 16 kptopt 0 kpt 1 1 1 1 2 2 kptnrm 4 natom 2 nband 4 nkpt 2 nline 3 nstep 10 nsym 24 ntypat 1 occ 4*2.0d0 occopt 0 prtvol1 0 prtvol2 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 -1 0 0 -1 0 1 -1 1 0 0 -1 1 0 -1 0 1 -1 0 -1 0 1 -1 0 0 -1 1 0 0 -1 0 0 -1 1 1 -1 0 0 -1 1 1 -1 0 0 -1 0 0 1 -1 0 0 -1 1 0 -1 0 0 -1 1 0 -1 0 1 -1 -1 1 0 -1 0 1 -1 0 0 1 0 -1 0 1 -1 0 0 -1 1 -1 0 0 -1 0 0 -1 1 -1 0 0 -1 1 0 -1 0 1 0 1 0 1 0 0 0 0 1 0 0 1 0 1 0 1 0 0 1 0 0 0 0 1 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 -1 0 1 -1 1 0 -1 0 0 0 0 -1 0 1 -1 1 0 -1 1 0 -1 0 0 -1 0 1 -1 1 -1 0 0 -1 1 0 -1 0 0 -1 0 1 -1 0 0 -1 1 -1 1 0 -1 0 0 -1 0 1 tnons 0.0 0.0 0.0 0.0 0.0 -0.5 -0.5 0.0 0.0 0.0 -0.5 0.0 -0.5 0.0 0.0 0.0 -0.5 0.0 0.0 -0.5 0.0 0.0 0.0 -0.5 0.0 0.0 -0.5 -0.5 0.0 0.0 0.0 0.0 -0.5 0.0 -0.5 0.0 -0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 -0.5 0.0 0.0 0.0 0.0 -0.5 0.0 0.0 -0.5 0.0 -0.5 0.0 0.0 -0.5 0.0 -0.5 0.0 0.0 tolwfr 1.0d-16 typat 1 1 wtk 1 3 xred -0.125 -0.125 -0.125 0.125 0.125 0.125 znucl 14.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosGTH_pwteter/14si.pspgth" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t59.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% keywords = NC #%% authors = Unknown #%% description = #%% Test multi-dataset mode. Si diamond. #%% 2 datasets, with index 2 and 57 (!). No advanced features like get variables. #%% Rather fast. #%%