/------------------------------------------------------------------------
/ Versions
/------------------------------------------------------------------------

moments = 6 
AtomsVersion  = v2          
BondsVersion  = v2         
RepVersion = v2
Version = bop          
screening  = false
screeningVersion = v0
restart = F

#############
TASK = force  
#############

!!! new self-consistency scheme switched-on !!!
!scfnewscheme = T 
scfmixer = broyden
scfmixpara = 0.3        
scftol = 0.001

scfreusehii = F
scfSteps = 100


! Here analytic are previous numeric
forces    = analytic
numFdisp  = 2   
numfinc   = 0.0001

facrcut    = 1.0 
rskin      = 0.0
rthickskin = 0.0
ecut       = 0.0

rCut     =  4.40  
dcut     =  1.60
r2Cut    =  6.00
d2cut    =  0.00

StrucFile = struc.bx

!RELAX part
rxsaveframes = 1
rxfconv  = 0.01
rxkernel = damped-newton
rxmaxsteps = 1000
!rxsteplimit = 0.10

!Newton related parameters
dndamping  = 0.00 
dnrecmass  = 0.03    

terminator = averaged

verbose = F
printsc = F
printefermi = F

printtsse = T