# FCC Al; 2 special points acell 3*7.60 ecut 10 enunit 2 intxc 1 fband 2.0d0 #nband 4 # istatr 2 kptopt 0 kpt 1 1 1 1 2 2 kptnrm 4 natom 1 nkpt 2 nline 3 nstep 8 nsym 24 ntypat 1 occopt 6 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 -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 72*0.0d0 tolwfr 1.0d-16 tsmear 0.05 typat 1 wtk 1 3 xred 0.0 0.0 0.0 znucl 13.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosGTH_pwteter/13al.pspgth" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = t03.abo ,tolnlines = 1, tolabs = 1.100e-09, tolrel = 1.100e-04 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% authors = Unknown #%% keywords = NC #%% description = #%% Bulk Aluminium, FCC, with 2 special points, occopt=6 and tsmear=0.05. #%% Designed to test the treatment of metals, #%% with the Gaussian-Hermite smearing of Methfessel and Paxton. #%% Also test the use of fband instead of nband. #%%