t51o_DS11_DEN 2 2 2 -0.50 0.00 0.00 1.00 0.00 0.00 15 t52.outlin 1 5 t52.outden 1 1 1 0.0 0.0 0.0 1 1 2 0.25 0.25 0.25 0 #%% #%% [setup] #%% executable = cut3d #%% test_chain = t51.in, t52.in, t53.in #%% [files] #%% files_to_test = #%% t52.stdout, tolnlines = 0, tolabs = 3.010e-14, tolrel = 4.000e-07 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% Bismuth atom, isolated, in a supercell. #%% Analyse the collinear spin-density obtained in test 51 , using cut3d #%%