# FCC Fe (ferromagnetic for fun) with four atoms per cell # Distorted with a A1 phonon, so as to keep the symmetry ... # Only one k point in the IBZ # Test the parallelism over the spins tolvrs 1.0d-13 ngkpt 2 2 2 ecut 30 acell 3*7.00 ixc 1 natom 4 nband 40 nline 5 nsppol 2 spinat 0.0 0.0 3.0 0.0 0.0 3.0 0.0 0.0 3.0 0.0 0.0 3.0 nstep 5 ntypat 1 occopt 7 shiftk 0.5 0.5 0.5 typat 4*1 xred 0.01 0.01 0.01 0.49 0.49 0.01 0.49 0.01 0.49 0.01 0.49 0.49 znucl 26.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosHGH_pwteter/26fe.8.hgh" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = tbasepar_2.out, tolnlines=0, tolabs=0.0, tolrel=0.0 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% keywords = NC #%% authors = Unknown #%% description = #%% FCC Fe (ferromagnetic for fun) with four atoms per cell #%% Distorted with a A1 phonon, so as to keep the symmetry ... #%% Only one k point in the IBZ #%% Test the parallelism over the spins #%%