t76o_DS1_DEN 2 2 -0.25 -0.25 -0.25 1.50 1.50 1.50 70 t77.out 1 5 t77.outden 0 #%% #%% [setup] #%% executable = cut3d #%% test_chain = t76.in, t77.in #%% [files] #%% files_to_test = #%% t77.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% keywords = #%% authors = Unknown #%% description = #%% Cut3d code. Silicon, diamond structure. #%% Using the unformatted density file generated in test #76, #%% compute the density along the diagonal of the primitive cell, #%% accross more than one cell. Also generate a formatted #%% density file, to be read in the next run. #%%