#Mon Dec 24 23:27:53 2012
potcar_dir = //home/tma249/bin/tscripts_dev_2012/paw/PBE/Al //home/tma249/bin/tscripts_dev_2012/paw/PBE/Cu 
mig_displacement = -0.2 0.1 -0.3
entype = T
max_relax = 5
system_type = fccnebvec108
append = _
calcgroup_path = //home/tma249/cuset/alcu/alcu
kpoints_dimensions = 4 4 4
potcar_type = paw
paw_type = PBE
volcomp = 1
vac_coord = 0.16666667 0 0.16666667
location = bardeen
input_mode = By Terminal
voltype = P
num_im = 1
nelect_adjust = 0
load_location = fccnebvec108k4.template
auto_gen_name = No
script_template = vaspbatch.sh
calculation_type = NEB hop
kpoints_centering = Monkhorst
lattice_param = 10.9
vector_hops = -0.16666667 0.16666667 0 ; -0.16666667 0 0.16666667 ; 0 0.16666667 0.16666667 ; 0.16666667 0 0.16666667 ; -0.16666667 0 -0.16666667
collection_path = //home/tma249/cuset/alcu
potcar_list = Cu
element = Al Cu
calcgroup_name = alcu
run_primer = No
encomp = 0.001
poscar_dimensions = 1 1 1
