# FCC Al; 10 special points acell 3*7.60 ecut 10 enunit 2 intxc 1 irdwfk 1 kptopt 0 nkpt 10 kpt .37500000000000 .37500000000000 .37500000000000 .37500000000000 .37500000000000 .12500000000000 .50000000000000 .50000000000000 .12500000000000 .37500000000000 .37500000000000 .62500000000000 .37500000000000 .12500000000000 .12500000000000 .25000000000000 .50000000000000 .12500000000000 .37500000000000 .12500000000000 .62500000000000 .00000000000000 .12500000000000 .50000000000000 .12500000000000 .12500000000000 .12500000000000 .25000000000000 .25000000000000 .12500000000000 kptnrm 1 wtk .03125000000000 .09375000000000 .09375000000000 .09375000000000 .09375000000000 .18750000000000 .18750000000000 .09375000000000 .03125000000000 .09375000000000 ngfft 16 16 16 natom 1 nband 4 nline 3 nstep 7 nsym 24 ntypat 1 occopt 7 prtdos 1 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-14 tsmear 0.05 typat 1 xred 0.0 0.0 0.0 znucl 13.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosGTH_pwteter/13al.pspgth" #%% #%% [setup] #%% executable = abinit #%% input_prefix = t04o #%% test_chain = t04.in, t07.in #%% no_check = yes #%% [files] # MG: this file is not tested ###%% t07.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% files_to_test = t07o_DOS, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% keywords = NC #%% authors = Unknown #%% description = #%% Bulk Aluminium, FCC, with 10 special points, occopt=7 and tsmear=0.05 . #%% Start from the wavefunctions of case 4, reformatted by case 6. #%% Ask to compute the DOS. See the WARNING described in case 6. #%% Cannot use more that 2 processors due to t04.in #%% topics = ElecDOS #%%