#test hydrogen in a BIG box. #Checks FFT routines for large grid in x direction that doesn't fit cpu cache acell 300 2*4.00 ecut 30 kptopt 0 kpt 0.5 0.5 0.5 nkpt 1 natom 1 nband 1 nstep 1 ntypat 1 occopt 1 rprim 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 xred 0.0 0.0 0.0 typat 1 tolwfr 1.e-22 znucl 1 nline 2 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosGTH_pwteter/01h.pspgth" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t43.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% H atom, non-spin-polarized. #%% Test a very large grid in x direction. #%%