#------------------------------------------
# Sample vampire input file to perform
# benchmark calculation for v3.0
#
#------------------------------------------

#------------------------------------------
# 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=0
sim:maximum-temperature=800
sim:temperature-increment=25
sim:time-steps-increment=1
sim:equilibration-time-steps=1000
sim:loop-time-steps=1000
sim:time-step=1.0E-16

sim:equilibration-time-steps=10000
sim:total-time-steps=50000
sim:laser-pulse-power=5.0
sim:laser-pulse-temporal-profile=two-temperature

output:real-time 
output:electron-temperature 
output:phonon-temperature 
output:magnetisation-length

#------------------------------------------
# Program and integrator details
#------------------------------------------
sim:program=laser-pulse
sim:integrator=llg-heun 
sim:time-step=1.0e-16

#------------------------------------------
# data output
#------------------------------------------
output:real-time
output:electron-temperature
output:phonon-temperature
output:magnetisation-length