&FILES ddkfile_1 = 'toptic_3o_DS4_1WF7', ddkfile_2 = 'toptic_3o_DS5_1WF8', ddkfile_3 = 'toptic_3o_DS6_1WF9', wfkfile = 'toptic_3o_DS3_WFK' / &PARAMETERS broadening = 0.002, domega = 0.0003, maxomega = 0.3, scissor = 0.000, tolerance = 0.002 / &COMPUTATIONS num_lin_comp = 0, lin_comp = 0, num_nonlin_comp = 0 nonlin_comp = 0, num_linel_comp = 1, linel_comp = 123, / ############################################################## # This section is used only for regression testing of ABINIT # ############################################################## #%% #%% [setup] #%% executable = optic #%% test_chain = toptic_3.abi,toptic_4.abi,toptic_5.abi #%% need_cpp_vars = !HAVE_MPI_IO_DEFAULT #%% [files] #%% files_to_test = #%% toptic_5_0001_0002_0003-ChiEOAbs.out, tolnlines= 16, tolabs= 7.000e-04, tolrel= 7.000e-04, fld_options = -easy; #%% toptic_5_0001_0002_0003-ChiEOIm.out, tolnlines= 16, tolabs= 7.000e-04, tolrel= 7.000e-04, fld_options = -easy; #%% toptic_5_0001_0002_0003-ChiEORe.out, tolnlines= 16, tolabs= 7.000e-04, tolrel= 7.000e-04, fld_options = -easy; #%% toptic_5_0001_0002_0003-ChiEOTotIm.out, tolnlines= 16, tolabs= 7.000e-04, tolrel= 7.000e-04, fld_options = -easy; #%% toptic_5_0001_0002_0003-ChiEOTotRe.out, tolnlines= 16, tolabs= 7.000e-04, tolrel= 7.000e-04, fld_options = -easy; #%% [paral_info] #%% max_nprocs = 4 #%% [extra_info] #%% authors = S. Sharma, X. Gonze, N. A. Pike #%% keywords = linear electro-optical coefficient #%% description = Input file for optic code to calculate the linear electro-optical coefficient #%%