#------------------------------------------
# Sample vampire input file to perform
# a Curie temperature simulation for Ni.
# Provided as part of the 2019 Vampire 
# Workshop.
#------------------------------------------

#------------------------------------------
# Creation attributes:
#------------------------------------------
create:crystal-structure=fcc
create:periodic-boundaries-x
create:periodic-boundaries-y
create:periodic-boundaries-z
#------------------------------------------
# System Dimensions:
#------------------------------------------
dimensions:unit-cell-size = 3.524 !A
dimensions:system-size-x = 4.0 !nm
dimensions:system-size-y = 4.0 !nm
dimensions:system-size-z = 4.0 !nm

#------------------------------------------
# Material Files:
#------------------------------------------
material:file=Ni.mat

#------------------------------------------
# Simulation attributes:
#------------------------------------------
sim:temperature=300.0
sim:minimum-temperature=000
sim:maximum-temperature=800
sim:temperature-increment=25
sim:time-steps-increment=1
sim:equilibration-time-steps=10000
sim:loop-time-steps=10000
sim:time-step=1.0E-16

#------------------------------------------
# Program and integrator details
#------------------------------------------
sim:program=curie-temperature
sim:integrator=monte-carlo

#------------------------------------------
# data output
#------------------------------------------
output:time-steps
output:temperature
output:magnetisation
output:mean-magnetisation-length

screen:temperature
screen:mean-magnetisation-length