# -------------------------------------------
# Ba3NbFe3Si2O14 7 mailles
#
AX  = 8.539
AY  = 8.539
AZ  = 36.687
ALFA= 90.0
BETA= 90.0
GAMA= 120.0
#
#
EZX = 1
EZY = 0
EZZ = 0
#
# indices max pour le calcul du f magnetique
NX=0
NY=2
NZ=14
# -------------------------------------------
# position des spins structure (epsH,epsHepsT)=(-1,1)
# J5 domine donc epsT=-1
# ACW Triangular chirality CW helical chirality left-handed structural chirality Dab(2)
# eps_S = -1
# eps_H = -1
#
I= 1,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.0    ,PHI=360,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I= 2,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.0    ,PHI=120,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I= 3,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.0    ,PHI=240,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I= 4,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.1428 ,PHI=309,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I= 5,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.1428 ,PHI=69 ,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I= 6,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.1428 ,PHI=189,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I= 7,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.2857 ,PHI=258,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I= 8,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.2857 ,PHI=18 ,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I= 9,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.2857 ,PHI=138,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I=10,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.4286 ,PHI=207,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I=11,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.4286 ,PHI=327,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I=12,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.4286 ,PHI=87 ,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I=13,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.5714 ,PHI=156,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I=14,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.5714 ,PHI=276,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I=15,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.5714 ,PHI=36 ,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I=16,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.7143 ,PHI=105,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I=17,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.7143 ,PHI=225,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I=18,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.7143 ,PHI=345,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
I=19,NOM=FE3, X= 0.249 ,Y= 0.00  ,Z=0.8571 ,PHI=54 ,THETA=90, CX=   1,CY= 0.   ,CZ= 0, B20=0.0
I=20,NOM=FE3, X= 0.00  ,Y= 0.249 ,Z=0.8571 ,PHI=174,THETA=90, CX=-0.5,CY= 0.866,CZ= 0, B20=0.0
I=21,NOM=FE3, X=-0.249 ,Y=-0.249 ,Z=0.8571 ,PHI=294,THETA=90, CX=-0.5,CY=-0.866,CZ= 0, B20=0.0
#
# -------------------------------------------
# couplage intra-trimere et inter trimeres
#
I1= 1,I2= 2,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 1,I2= 3,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 2,I2= 3,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 4,I2= 5,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 4,I2= 6,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 5,I2= 6,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 7,I2= 8,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 7,I2= 9,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1= 8,I2= 9,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=10,I2=11,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=10,I2=12,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=11,I2=12,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=13,I2=14,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=13,I2=15,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=14,I2=15,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=16,I2=17,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=16,I2=18,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=17,I2=18,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=19,I2=20,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=19,I2=21,J1=0.85,D1=3.8,J2=0.24,D2=6.0
I1=20,I2=21,J1=0.85,D1=3.8,J2=0.24,D2=6.0
#
#
# couplage interplan J3/J5 = 0.22 et J4/J5=0.07
#
I1= 1,I2= 6,J1=0.2400    ,D1=7.0
I1= 1,I2= 4,J1=0.01711368,D1=6.0
I1= 1,I2= 5,J1=0.0528    ,D1=7.0
#
I1= 2,I2= 4,J1=0.2400    ,D1=7.0
I1= 2,I2= 5,J1=0.01711368,D1=6.0
I1= 2,I2= 6,J1=0.0528    ,D1=7.0
#
I1= 3,I2= 5,J1=0.2400    ,D1=7.0
I1= 3,I2= 6,J1=0.01711368,D1=6.0
I1= 3,I2= 4,J1=0.0528    ,D1=7.0
#
I1= 4,I2= 9,J1=0.2400    ,D1=7.0
I1= 4,I2= 7,J1=0.01711368,D1=6.0
I1= 4,I2= 8,J1=0.0528    ,D1=7.0
#
I1= 5,I2= 7,J1=0.2400    ,D1=7.0
I1= 5,I2= 8,J1=0.01711368,D1=6.0
I1= 5,I2= 9,J1=0.0528    ,D1=7.0
#
I1= 6,I2= 8,J1=0.2400    ,D1=7.0
I1= 6,I2= 9,J1=0.01711368,D1=6.0
I1= 6,I2= 7,J1=0.0528    ,D1=7.0
#
I1= 7,I2=12,J1=0.2400    ,D1=7.0
I1= 7,I2=10,J1=0.01711368,D1=6.0
I1= 7,I2=11,J1=0.0528    ,D1=7.0
#
I1= 8,I2=10,J1=0.2400    ,D1=7.0
I1= 8,I2=11,J1=0.01711368,D1=6.0
I1= 8,I2=12,J1=0.0528    ,D1=7.0
#
I1= 9,I2=11,J1=0.2400    ,D1=7.0
I1= 9,I2=12,J1=0.01711368,D1=6.0
I1= 9,I2=10,J1=0.0528    ,D1=7.0
#
I1=10,I2=15,J1=0.2400    ,D1=7.0
I1=10,I2=13,J1=0.01711368,D1=6.0
I1=10,I2=14,J1=0.0528    ,D1=7.0
#
I1=11,I2=13,J1=0.2400    ,D1=7.0
I1=11,I2=14,J1=0.01711368,D1=6.0
I1=11,I2=15,J1=0.0528    ,D1=7.0
#
I1=12,I2=14,J1=0.2400    ,D1=7.0
I1=12,I2=15,J1=0.01711368,D1=6.0
I1=12,I2=13,J1=0.0528    ,D1=7.0
#
I1=13,I2=18,J1=0.2400    ,D1=7.0
I1=13,I2=16,J1=0.01711368,D1=6.0
I1=13,I2=17,J1=0.0528    ,D1=7.0
#
I1=14,I2=16,J1=0.2400    ,D1=7.0
I1=14,I2=17,J1=0.01711368,D1=6.0
I1=14,I2=18,J1=0.0528    ,D1=7.0
#
I1=15,I2=17,J1=0.2400    ,D1=7.0
I1=15,I2=18,J1=0.01711368,D1=6.0
I1=15,I2=16,J1=0.0528    ,D1=7.0
#
I1=16,I2=21,J1=0.2400    ,D1=7.0
I1=16,I2=19,J1=0.01711368,D1=6.0
I1=16,I2=20,J1=0.0528    ,D1=7.0
#
I1=17,I2=19,J1=0.2400    ,D1=7.0
I1=17,I2=20,J1=0.01711368,D1=6.0
I1=17,I2=21,J1=0.0528    ,D1=7.0
#
I1=18,I2=20,J1=0.2400    ,D1=7.0
I1=18,I2=21,J1=0.01711368,D1=6.0
I1=18,I2=19,J1=0.0528    ,D1=7.0
#
I1=19,I2= 3,J1=0.2400    ,D1=7.0
I1=19,I2= 1,J1=0.01711368,D1=6.0
I1=19,I2= 2,J1=0.0528    ,D1=7.0
#
I1=20,I2= 1,J1=0.2400    ,D1=7.0
I1=20,I2= 2,J1=0.01711368,D1=6.0
I1=20,I2= 3,J1=0.0528    ,D1=7.0
#
I1=21,I2= 2,J1=0.2400    ,D1=7.0
I1=21,I2= 3,J1=0.01711368,D1=6.0
I1=21,I2= 1,J1=0.0528    ,D1=7.0
#
#
# KSEA interaction
#
GDM   = -0.011
#
# dab/dc=2.6
#
#
I1= 1,I2= 2,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 2,I2= 3,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 3,I2= 1,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 4,I2= 5,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 5,I2= 6,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 6,I2= 4,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 7,I2= 8,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 8,I2= 9,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1= 9,I2= 7,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=10,I2=11,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=11,I2=12,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=12,I2=10,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=13,I2=14,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=14,I2=15,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=15,I2=13,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=16,I2=17,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=17,I2=18,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=18,I2=16,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=19,I2=20,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=20,I2=21,UX= 0.,UY= 0.,UZ= 0,DMZ=1
I1=21,I2=19,UX= 0.,UY= 0.,UZ= 0,DMZ=1
#
#
# -------------------------------------------
# definition du scan
#
COUPE,EN0=2.0
Q0X=0.00,Q0Y=-4.00,Q0Z=-14.0
DQ1X=0.0,DQ1Y=0.02,DQ1Z=0.00
DQ2X=0.00,DQ2Y=0.00,DQ2Z=0.07
NP=250
#
# -------------------------------------------
# options de calcul
#
FICH=res-lang-coupe.txt
FFORM
SIG=0.15
CALC=2
REG=0.1
#
MF,NITER=500
#
#  lui il me fait un fortran runtime error (integer overflow when calculating the amount
# of memory to allocate) grrr!!!
