# Crystalline silicon
# Sigma calculation from the merged screening file of the previous test
# The results should be EXACTLY the same as the ones obtained in dataset 6
# of the test v6/t14

optdriver  4
gwcalctyp  29
istwfk    *1
irdwdk     1
irdscr     1
awtr       1
symsigma   0
inclvkb    2
gw_icutcoul  3   #  old deprecated value of icutcoul, only used for legacy

ecutsigx   4.0
nband      16

nkptgw     3
kptgw      0.0  0.0  0.0
            0.5  0.0  0.0
            0.5  0.5  0.0
bdgw       1 14
            1 14
            1 14

ixc        -208012
usekden     1

ecut        6
ecutsm      0.5
occopt      1
enunit      1

kptopt      1
ngkpt       2 2 2
nshiftk     1
shiftk      0.0 0.0 0.0

diemac      12.0

#Structure

acell     3*10.2625546
rprim       0.0  0.5  0.5
            0.5  0.0  0.5
            0.5  0.5  0.0

# Definition of the atom types
ntypat      1
znucl       14

# Definition of the atoms
natom       2
typat       1 1
xred
  -1/8 -1/8 -1/8
   1/8  1/8  1/8

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t14.in, t15.in, t16.in
#%% [files]
#%% files_to_test = 
#%%   t16.out, tolnlines=    1,   tolabs=  1.1e-3,      tolrel= 3.0e-4, fld_options = -easy
#%% psp_files = 14si.bj_noNLCC.psp 
#%% [paral_info]
#%% max_nprocs = 3
#%% [extra_info]
#%% authors = D. Waroquiers, M. Stankovski
#%% keywords = 
#%% description = 
#%%   Silicon:
#%%   Sigma calculation using the merged screening file of test 15 and kss file of test 14. The results
#%%   obtained should be exactly the same as the ones obtained in dataset 6 of test 14.
#%%   (the pseudopotential used has been made with the becke-johnson exchange-correlation and without
#%%   non linear core corrections)
#%%<END TEST_INFO>
