SAMPLE_INPUT

# To run this calculation (for the system BaSnO3) do:
#
# cp SAMPLE_INPUT input.dat 
# ./CPLAP
#
# One competing phase has been left out - to add it in:
#
# cp results.dat restart.dat
# ./CPLAP
#
# and select option (b) (cp SAMPLE_EXTRA_PHASES extra_phases.dat first)
#
#
# First give number of species in the compound of interest
#
3
#
# Next give the formula and enthalpy of formation (E1) of the compound 
# in the format:
#
# n_A A n_B B n_C C ... E1
#
# where n_A is the number of species A in the formula unit etc (E1 
# is a negative number)
# (e.g. if the material is calcite then 1 Ca 1 C 3 O and then the 
# energy must be entered. Please keep the energy units consistent 
# when entering all data)
#
1 Ba 1 Sn 3 O -11.464253
#
# Now enter which element is to be set as the dependent variable (i.e.
# given in terms of the other chemical potentials). If none is to be set,
# then write "none" (case sensitive) - note if no dependent variable is
# set then only the intersection points with the compound of interest 
# are relevant
#
O
#
# Next give the number of competing phases to be considered:
#
3
#
# For each competing phase first give the number of species, then
# the formula of the compound
#
2
1 Ba 1 O -5.1386635
2
1 Sn 1 O -2.539629
2
1 Sn 2 O -5.2876295