# Si in diamond structure; 2 special points. Bond centered. acell 3*10.26311 diemac 1.0d0 diemix 0.333333333333d0 ecut 2 enunit 2 intxc 1 kptopt 0 kpt 1 1 1 1 2 2 kptnrm 4 natom 2 nband 4 ngfft 3*10 nkpt 2 nstep 20 nsym 24 ntypat 1 occ 4*2.0d0 occopt 0 prtden 1 prtpot 2 prtvha 1 prtvhxc 1 prtvxc 1 prtvol 10 prt1dm 1 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 timopt -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-24 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 "PseudosTM_pwteter/14si.pspnc" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t30.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% This test is due to Z. Levine. It is a run on Si with the bond center #%% at the origin. Also write density and potential with prtden=9 and prtpot=2 . #%%