#  turn on the output of geometry and eigenvalue files for BoltzTraP analysis.
# see http://www.icams.de/content/departments/ams/madsen/boltztrap.html
prtbltztrp2 1

ndtset 2

# dataset 1: make ground state density
ngkpt1 4 4 4
toldfe1 1.e-10

# dataset 2: make eigenvalues
iscf2 -3
ngkpt2 8 8 8
tolwfr2 1.e-14
getden2 1

shiftk 0 0 0
acell 3*7.653
rprim
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
ecut 6
kptopt 1
natom 1
ntypat 1
typat 1
znucl 13
xred 0 0 0
nband 13
occopt 7
tsmear 0.1 eV


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/13al.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t11.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%%   t11o_DS2_BLZTRP.ns_energy, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%%   t11o_DS2_BLZTRP.struct, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%%   t11o_DS2_ns_BLZTRP.def, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%%   t11o_DS2_ns_BLZTRP.intrans, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%% [paral_info]
#%% max_nprocs = 8
#%% [extra_info]
#%% authors = M. Verstraete
#%% keywords = 
#%% description = 
#%%   Print out geometry and eigenvalue files for analysis by the BoltzTraP code, for transport coefficients,
#%%   Seebeck, etc... Tests the prtbltztrp input variable 
#%%<END TEST_INFO>