abinit/tests/v9/Input/t06.abi

41 lines
960 B
Plaintext

&FILES
ddkfile_1 = 't05o_DS4_EVK.nc',
ddkfile_2 = 't05o_DS5_EVK.nc',
ddkfile_3 = 't05o_DS6_EVK.nc',
wfkfile = 't05o_DS3_WFK'
/
&PARAMETERS
broadening = 0.001,
domega = 0.002,
maxomega = 0.3,
scissor = 0.000,
tolerance = 0.001,
do_antiresonant = .FALSE.,
/
&COMPUTATIONS
num_lin_comp = 2,
lin_comp = 11,23,
num_nonlin_comp = 0,
num_linel_comp = 0,
num_nonlin2_comp = 0,
/
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = optic
#%% test_chain = t05.abi, t06.abi
#%% [files]
#%% files_to_test =
#%% t06_0001_0001-linopt.out , tolnlines = 17, tolabs = 1.1e-04, tolrel = 4.0e-07;
#%% t06_0002_0003-linopt.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
#%%
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = M. Giantomassi
#%% keywords =
#%% description =
#%% GaAs, zinc-blende structure. GGA-PBE. nsppol=1. Code optic. Use DDK files in netcdf format.
#%% topics = Optic
#%%<END TEST_INFO>