1 t78o_DS3_1WF4 t78o_DS4_1WF5 t78o_DS5_1WF6 t78o_DS2_WFK 9.50049E-04 1.000 0.00735 2.0 !first order wave function file for direction 1 0 0 !first order wave function file for direction 0 1 0 !first order wave function file for direction 0 0 1 !tsmear in Hartree !wtk as it is written in the outfile !space between two points, conductivity is compute up to this value in Ha #%% #%% [setup] #%% executable = conducti #%% test_chain = t78.in, t79.in #%% [files] #%% files_to_test = #%% t79.out, tolnlines= 1, tolabs= 4.000e-08, tolrel= 7.000e-06, fld_options=-medium; #%% t79_Kth, tolnlines= 50, tolabs= 4.000e-08, tolrel= 7.000e-06, fld_options=-easy; #%% t79_Lij, tolnlines= 50, tolabs= 4.000e-08, tolrel= 7.000e-06, fld_options=-easy; #%% t79_abs, tolnlines= 50, tolabs= 4.000e-04, tolrel= 7.000e-06, fld_options=-ridiculous; #%% t79_eps, tolnlines= 50, tolabs= 4.000e-08, tolrel= 7.000e-06, fld_options=-easy; #%% t79_tens, tolnlines= 50, tolabs= 4.000e-08, tolrel= 7.000e-06, fld_options=-easy; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% keywords = NC #%% authors = V. Recoules #%% description = #%% Aluminum FCC : test the conductivity. #%% Only for testing purposes : no physical meaning !! #%%