4 # flag for PAW run conducti + corespectra + emissionspectra t09o 0.073119 0.0000001 5.00 1000 1 # delta_freq, min_freq, max_freq(in atomic units), nfreq, iatom ## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r #%% #%% [setup] #%% executable = conducti #%% test_chain = t09.in, t10.in #%% [files] #%% files_to_test = #%% t10.out, tolnlines =10, tolabs = 8.0e-10, tolrel = 9.0e-06, fld_options = -easy; #%% t10_Kth, tolnlines =50, tolabs = 1.2e-06, tolrel = 2.3e-01, fld_options = -easy; #%% t10_abs, tolnlines =50, tolabs = 4.0e+04, tolrel = 3.2e-05, fld_options = -ridiculous; #%% t10_sigX, tolnlines =10, tolabs = 2.1e-10, tolrel = 1.0e-07, fld_options = -easy; #%% t10_emisX, tolnlines = 5, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy; #%% t10_eps, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy; #%% t10_Lij, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -ridiculous; #%% t10_sig, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy; #%% extra_inputs = #%% psp_files = #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = S. Mazevet, M. Torrent #%% keywords = PAW #%% description = #%% Tests a PAW conductivity calculation. #%% It tests the following parts of the code: #%% conducti, conducti_paw, conducti_paw_core, emispec_paw #%%