mirror of https://github.com/abinit/abinit.git
41 lines
984 B
Plaintext
41 lines
984 B
Plaintext
&FILES
|
|
ddkfile_1 = 't11o_DS4_EVK.nc',
|
|
ddkfile_2 = 't11o_DS5_EVK.nc',
|
|
ddkfile_3 = 't11o_DS6_EVK.nc',
|
|
wfkfile = 't11o_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 = t11.abi, t12.abi
|
|
#%% [files]
|
|
#%% files_to_test =
|
|
#%% t12_0001_0001-linopt.out , tolnlines = 3, tolabs = 3.0e-03, tolrel = 2.0e-04, fld_options = -easy;
|
|
#%% t12_0002_0003-linopt.out , tolnlines = 1, tolabs = 3.0e-03, tolrel = 3.0e-05;
|
|
#%%
|
|
#%% [paral_info]
|
|
#%% max_nprocs = 4
|
|
#%% [extra_info]
|
|
#%% authors = M. Giantomassi
|
|
#%% keywords =
|
|
#%% description =
|
|
#%% GaAs, zinc-blende structure. PAW. GGA-PBE. nsppol=2. Code optic. Use DDK files in netcdf format.
|
|
#%% topics = Optic
|
|
#%%<END TEST_INFO>
|